N-[3-chloro-4-(methylcarbamoyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride

C13H17Cl2N3O2 — CID 119742686

IUPACN-[3-chloro-4-(methylcarbamoyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
SMILESCNC(=O)c1ccc(NC(=O)C2CCNC2)cc1Cl.Cl
InChIInChI=1S/C13H16ClN3O2.ClH/c1-15-13(19)10-3-2-9(6-11(10)14)17-12(18)8-4-5-16-7-8;/h2-3,6,8,16H,4-5,7H2,1H3,(H,15,19)(H,17,18);1H
InChIKeyIWPUWXYRPOGKJJ-UHFFFAOYSA-N
MW318.20 g/mol
LogP1.67
Rot. Bonds3

About N-[3-chloro-4-(methylcarbamoyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride

N-[3-chloro-4-(methylcarbamoyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride (PubChem CID 119742686) has the molecular formula C13H17Cl2N3O2 and a molecular weight of 318.20 g/mol. Its IUPAC name is N-[3-chloro-4-(methylcarbamoyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-chloro-4-(methylcarbamoyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
PubChem CID119742686
Molecular FormulaC13H17Cl2N3O2
Molecular Weight318.20 g/mol
Exact Mass317.07
IUPAC NameN-[3-chloro-4-(methylcarbamoyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
SMILESCNC(=O)c1ccc(NC(=O)C2CCNC2)cc1Cl.Cl
InChIInChI=1S/C13H16ClN3O2.ClH/c1-15-13(19)10-3-2-9(6-11(10)14)17-12(18)8-4-5-16-7-8;/h2-3,6,8,16H,4-5,7H2,1H3,(H,15,19)(H,17,18);1H
InChIKeyIWPUWXYRPOGKJJ-UHFFFAOYSA-N
XLogP1.67
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.20
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[3-chloro-4-(methylcarbamoyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride 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

methyl 2-chloro-4-(pyrrolidine-3-carbonylamino)benzoate;hydrochloride
CID 119794128
N-[3-chloro-4-(dimethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 119747432
N-[4-chloro-3-(methylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 60926898
(3R)-N-(4-carbamoyl-3-chlorophenyl)piperidine-3-carboxamide
CID 81124281
N-[3-chloro-4-(dimethylamino)phenyl]pyrrolidine-3-carboxamide
CID 55151167
N-[3-chloro-4-(2-methylpropylcarbamoyl)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119298623
N-(4-chlorophenyl)pyrrolidine-3-carboxamide
CID 63006642
N-(5-acetamido-2-chlorophenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119707641
N-[3-chloro-4-(difluoromethoxy)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119676762
N-(4-chloro-3-cyanophenyl)pyrrolidine-3-carboxamide
CID 63005956
N-(3-chlorophenyl)pyrrolidine-3-carboxamide
CID 63006640
N-[4-chloro-3-(methylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 78981588

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(methylcarbamoyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[3-chloro-4-(methylcarbamoyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride (CID 119742686) is N-[3-chloro-4-(methylcarbamoyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-chloro-4-(methylcarbamoyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[3-chloro-4-(methylcarbamoyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride is CNC(=O)c1ccc(NC(=O)C2CCNC2)cc1Cl.Cl.
What is the InChIKey of N-[3-chloro-4-(methylcarbamoyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is IWPUWXYRPOGKJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O2.ClH/c1-15-13(19)10-3-2-9(6-11(10)14)17-12(18)8-4-5-16-7-8;/h2-3,6,8,16H,4-5,7H2,1H3,(H,15,19)(H,17,18);1H.
What are the key properties of N-[3-chloro-4-(methylcarbamoyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride?
N-[3-chloro-4-(methylcarbamoyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 318.20 g/mol, XLogP of 1.67, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(methylcarbamoyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119742686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).