Name: Name:N-(2H-1,3-benzodioxol-5-yl)-2-(2-chloroacetamido)benzamide
Brand: Angene
SKU: AG00ICCG
Rating: 90 (10 reviews)

N-(2H-1,3-benzodioxol-5-yl)-2-(2-chloroacetamido)benzamide

CAS No.:

730949-69-6

Catalog Number:

AG00ICCG

Molecular Formula:

C16H13ClN2O4

Molecular Weight:

332.7384

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Product Description

Catalog Number:

AG00ICCG

Chemical Name:

N-(2H-1,3-benzodioxol-5-yl)-2-(2-chloroacetamido)benzamide

CAS Number:

730949-69-6

Molecular Formula:

C16H13ClN2O4

Molecular Weight:

332.7384

MDL Number:

MFCD04621459

IUPAC Name:

N-(1,3-benzodioxol-5-yl)-2-[(2-chloroacetyl)amino]benzamide

InChI:

InChI=1S/C16H13ClN2O4/c17-8-15(20)19-12-4-2-1-3-11(12)16(21)18-10-5-6-13-14(7-10)23-9-22-13/h1-7H,8-9H2,(H,18,21)(H,19,20)

InChI Key:

NYZGTUCQLQLOTI-UHFFFAOYSA-N

SMILES:

ClCC(=O)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2

Properties

Complexity:

448

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

332.056g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

332.74g/mol

Monoisotopic Mass:

332.056g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

76.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.9

Literature

Title	Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa.	Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501