Home Halogens 4,5-dichloro-N-[(pyrrolidin-2-yl)methyl]-1H-pyrrole-2-carboxamide

4,5-dichloro-N-[(pyrrolidin-2-yl)methyl]-1H-pyrrole-2-carboxamide

CAS No.:
1825999-87-8
Catalog Number:
AG01BTM2
Molecular Formula:
C10H13Cl2N3O
Molecular Weight:
262.1357
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Product Description
Catalog Number:
AG01BTM2
Chemical Name:
4,5-dichloro-N-[(pyrrolidin-2-yl)methyl]-1H-pyrrole-2-carboxamide
CAS Number:
1825999-87-8
Molecular Formula:
C10H13Cl2N3O
Molecular Weight:
262.1357
MDL Number:
MFCD16792285
IUPAC Name:
4,5-dichloro-N-(pyrrolidin-2-ylmethyl)-1H-pyrrole-2-carboxamide
InChI:
InChI=1S/C10H13Cl2N3O/c11-7-4-8(15-9(7)12)10(16)14-5-6-2-1-3-13-6/h4,6,13,15H,1-3,5H2,(H,14,16)
InChI Key:
PMWSITGJTCDSPD-UHFFFAOYSA-N
SMILES:
Clc1[nH]c(cc1Cl)C(=O)NCC1CCCN1
Properties
Complexity:
264  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.044g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
262.134g/mol
Monoisotopic Mass:
261.044g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
56.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties