N-(3-carbamoyl-4-methylphenyl)pyrrolidine-2-carboxamide;hydrochloride

C13H18ClN3O2 — CID 119316570

IUPACN-(3-carbamoyl-4-methylphenyl)pyrrolidine-2-carboxamide;hydrochloride
SMILESCc1ccc(NC(=O)C2CCCN2)cc1C(N)=O.Cl
InChIInChI=1S/C13H17N3O2.ClH/c1-8-4-5-9(7-10(8)12(14)17)16-13(18)11-3-2-6-15-11;/h4-5,7,11,15H,2-3,6H2,1H3,(H2,14,17)(H,16,18);1H
InChIKeyLIALRZFJLIFPIZ-UHFFFAOYSA-N
MW283.76 g/mol
LogP1.21
Rot. Bonds3

About N-(3-carbamoyl-4-methylphenyl)pyrrolidine-2-carboxamide;hydrochloride

N-(3-carbamoyl-4-methylphenyl)pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119316570) has the molecular formula C13H18ClN3O2 and a molecular weight of 283.76 g/mol. Its IUPAC name is N-(3-carbamoyl-4-methylphenyl)pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-carbamoyl-4-methylphenyl)pyrrolidine-2-carboxamide;hydrochloride
PubChem CID119316570
Molecular FormulaC13H18ClN3O2
Molecular Weight283.76 g/mol
Exact Mass283.11
IUPAC NameN-(3-carbamoyl-4-methylphenyl)pyrrolidine-2-carboxamide;hydrochloride
SMILESCc1ccc(NC(=O)C2CCCN2)cc1C(N)=O.Cl
InChIInChI=1S/C13H17N3O2.ClH/c1-8-4-5-9(7-10(8)12(14)17)16-13(18)11-3-2-6-15-11;/h4-5,7,11,15H,2-3,6H2,1H3,(H2,14,17)(H,16,18);1H
InChIKeyLIALRZFJLIFPIZ-UHFFFAOYSA-N
XLogP1.21
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-5-[[(2R)-piperidine-2-carbonyl]amino]benzoic acid
CID 98566354
N-(3-carbamoyl-4-fluorophenyl)pyrrolidine-2-carboxamide
CID 43432164
N-(3-iodo-4-methylphenyl)pyrrolidine-2-carboxamide
CID 43233890
(2R)-N-(3-carbamoyl-4-fluorophenyl)piperidine-2-carboxamide
CID 103808664
N-(3-chloro-4-methylphenyl)piperidine-2-carboxamide;hydrochloride
CID 119262099
N-(3-carbamoylphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119270285
(2R)-N-(3-hydroxy-4-methylphenyl)piperidine-2-carboxamide
CID 107701571
(2S)-N-(4-fluoro-3-methylphenyl)pyrrolidine-2-carboxamide
CID 62812681
N-(3-carbamoyl-4-methylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119316558
(2S)-N-(4-carbamoyl-3-chlorophenyl)piperidine-2-carboxamide
CID 103808831
(2R)-N-[4-(carbamoylamino)phenyl]pyrrolidine-2-carboxamide
CID 103794450
(2S)-N-(3,5-dimethylphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 67505940

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamoyl-4-methylphenyl)pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of N-(3-carbamoyl-4-methylphenyl)pyrrolidine-2-carboxamide;hydrochloride (CID 119316570) is N-(3-carbamoyl-4-methylphenyl)pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-carbamoyl-4-methylphenyl)pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-(3-carbamoyl-4-methylphenyl)pyrrolidine-2-carboxamide;hydrochloride is Cc1ccc(NC(=O)C2CCCN2)cc1C(N)=O.Cl.
What is the InChIKey of N-(3-carbamoyl-4-methylphenyl)pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is LIALRZFJLIFPIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2.ClH/c1-8-4-5-9(7-10(8)12(14)17)16-13(18)11-3-2-6-15-11;/h4-5,7,11,15H,2-3,6H2,1H3,(H2,14,17)(H,16,18);1H.
What are the key properties of N-(3-carbamoyl-4-methylphenyl)pyrrolidine-2-carboxamide;hydrochloride?
N-(3-carbamoyl-4-methylphenyl)pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 283.76 g/mol, XLogP of 1.21, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamoyl-4-methylphenyl)pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119316570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).