Name: Name:N-{5-[2-chloro-5-(trifluoromethyl)phenyl]pyrazin-2-yl}-2,6-difluorobenzamide
Brand: Angene
SKU: AG01C54H
Rating: 90 (10 reviews)

N-{5-[2-chloro-5-(trifluoromethyl)phenyl]pyrazin-2-yl}-2,6-difluorobenzamide

CAS No.:

903591-53-7

Catalog Number:

AG01C54H

Molecular Formula:

C18H9ClF5N3O

Molecular Weight:

413.7286

Catalog Number:

AG01C54H

Chemical Name:

N-{5-[2-chloro-5-(trifluoromethyl)phenyl]pyrazin-2-yl}-2,6-difluorobenzamide

CAS Number:

903591-53-7

Molecular Formula:

C18H9ClF5N3O

Molecular Weight:

413.7286

IUPAC Name:

N-[5-[2-chloro-5-(trifluoromethyl)phenyl]pyrazin-2-yl]-2,6-difluorobenzamide

InChI:

InChI=1S/C18H9ClF5N3O/c19-11-5-4-9(18(22,23)24)6-10(11)14-7-26-15(8-25-14)27-17(28)16-12(20)2-1-3-13(16)21/h1-8H,(H,26,27,28)

InChI Key:

LWJKSVUJZBEXCH-UHFFFAOYSA-N

SMILES:

Clc1ccc(cc1c1cnc(cn1)NC(=O)c1c(F)cccc1F)C(F)(F)F

Complexity:

542

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

413.035g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

413.732g/mol

Monoisotopic Mass:

413.035g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

54.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.3