N-(4-chloro-3-cyanophenyl)pyrrolidine-2-carboxamide

C12H12ClN3O — CID 43233967

IUPACN-(4-chloro-3-cyanophenyl)pyrrolidine-2-carboxamide
SMILESN#Cc1cc(NC(=O)C2CCCN2)ccc1Cl
InChIInChI=1S/C12H12ClN3O/c13-10-4-3-9(6-8(10)7-14)16-12(17)11-2-1-5-15-11/h3-4,6,11,15H,1-2,5H2,(H,16,17)
InChIKeyDLFRKAAZTRNFPG-UHFFFAOYSA-N
MW249.70 g/mol
LogP1.90
Rot. Bonds2

About N-(4-chloro-3-cyanophenyl)pyrrolidine-2-carboxamide

N-(4-chloro-3-cyanophenyl)pyrrolidine-2-carboxamide (PubChem CID 43233967) has the molecular formula C12H12ClN3O and a molecular weight of 249.70 g/mol. Its IUPAC name is N-(4-chloro-3-cyanophenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-3-cyanophenyl)pyrrolidine-2-carboxamide
PubChem CID43233967
Molecular FormulaC12H12ClN3O
Molecular Weight249.70 g/mol
Exact Mass249.07
IUPAC NameN-(4-chloro-3-cyanophenyl)pyrrolidine-2-carboxamide
SMILESN#Cc1cc(NC(=O)C2CCCN2)ccc1Cl
InChIInChI=1S/C12H12ClN3O/c13-10-4-3-9(6-8(10)7-14)16-12(17)11-2-1-5-15-11/h3-4,6,11,15H,1-2,5H2,(H,16,17)
InChIKeyDLFRKAAZTRNFPG-UHFFFAOYSA-N
XLogP1.90
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.70
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(4-chloro-3-cyanophenyl)pyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-chloro-3-fluorophenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119281092
N-(3,4-dichlorophenyl)piperidine-2-carboxamide;hydrochloride
CID 42943662
N-(4-chloro-3-cyanophenyl)pyrrolidine-3-carboxamide
CID 63005956
(2R)-N-(3-cyanophenyl)pyrrolidine-2-carboxamide
CID 104900460
(2R)-N-(4-chlorophenyl)pyrrolidine-2-carboxamide
CID 7183288
N-(5-acetamido-2-chlorophenyl)pyrrolidine-2-carboxamide
CID 119280739
2-[(4-chloro-3-cyanophenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 43402776
(2S)-N-(2-cyano-4-fluorophenyl)pyrrolidine-2-carboxamide
CID 82015903
(2R)-N-(4-bromo-3-chlorophenyl)piperidine-2-carboxamide
CID 107620300
N-(3,5-dichloro-4-hydroxyphenyl)pyrrolidine-2-carboxamide
CID 107680422
(2R)-N-[3-chloro-4-(methanesulfonamido)phenyl]pyrrolidine-2-carboxamide
CID 104900746
N-(4-bromo-3-chlorophenyl)azepane-2-carboxamide
CID 107620238

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-cyanophenyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-(4-chloro-3-cyanophenyl)pyrrolidine-2-carboxamide (CID 43233967) is N-(4-chloro-3-cyanophenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(4-chloro-3-cyanophenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-(4-chloro-3-cyanophenyl)pyrrolidine-2-carboxamide is N#Cc1cc(NC(=O)C2CCCN2)ccc1Cl.
What is the InChIKey of N-(4-chloro-3-cyanophenyl)pyrrolidine-2-carboxamide?
The InChIKey is DLFRKAAZTRNFPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O/c13-10-4-3-9(6-8(10)7-14)16-12(17)11-2-1-5-15-11/h3-4,6,11,15H,1-2,5H2,(H,16,17).
What are the key properties of N-(4-chloro-3-cyanophenyl)pyrrolidine-2-carboxamide?
N-(4-chloro-3-cyanophenyl)pyrrolidine-2-carboxamide has a molecular weight of 249.70 g/mol, XLogP of 1.90, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-cyanophenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 43233967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).