(2S)-N-(2,3-dimethylphenyl)pyrrolidine-2-carboxamide;hydrochloride

C13H19ClN2O — CID 119261902

IUPAC(2S)-N-(2,3-dimethylphenyl)pyrrolidine-2-carboxamide;hydrochloride
SMILESCc1cccc(NC(=O)[C@@H]2CCCN2)c1C.Cl
InChIInChI=1S/C13H18N2O.ClH/c1-9-5-3-6-11(10(9)2)15-13(16)12-7-4-8-14-12;/h3,5-6,12,14H,4,7-8H2,1-2H3,(H,15,16);1H/t12-;/m0./s1
InChIKeyAATBSNQDNGHZKR-YDALLXLXSA-N
MW254.76 g/mol
LogP2.42
Rot. Bonds2

About (2S)-N-(2,3-dimethylphenyl)pyrrolidine-2-carboxamide;hydrochloride

(2S)-N-(2,3-dimethylphenyl)pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119261902) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is (2S)-N-(2,3-dimethylphenyl)pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S)-N-(2,3-dimethylphenyl)pyrrolidine-2-carboxamide;hydrochloride
PubChem CID119261902
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name(2S)-N-(2,3-dimethylphenyl)pyrrolidine-2-carboxamide;hydrochloride
SMILESCc1cccc(NC(=O)[C@@H]2CCCN2)c1C.Cl
InChIInChI=1S/C13H18N2O.ClH/c1-9-5-3-6-11(10(9)2)15-13(16)12-7-4-8-14-12;/h3,5-6,12,14H,4,7-8H2,1-2H3,(H,15,16);1H/t12-;/m0./s1
InChIKeyAATBSNQDNGHZKR-YDALLXLXSA-N
XLogP2.42
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-fluoro-2-methylphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119281809
N-(2-hydroxy-3-methylphenyl)pyrrolidine-2-carboxamide
CID 79602150
(2S)-N-(3-bromo-2-methylphenyl)pyrrolidine-2-carboxamide
CID 103794811
2-methyl-6-[[(2S)-pyrrolidine-2-carbonyl]amino]benzoic acid
CID 53360304
N-(2,3-dimethylphenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119261895
(2S)-N-(3-hydroxy-2,4-dimethylphenyl)pyrrolidine-2-carboxamide
CID 61179515
N-(3-hydroxy-2,4-dimethylphenyl)pyrrolidine-2-carboxamide
CID 43710389
N-(2,3-dimethylphenyl)-4-ethylpiperidine-2-carboxamide
CID 114427932
N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119315216
(2R)-N-(3-methoxy-2,4-dimethylphenyl)pyrrolidine-2-carboxamide
CID 113263992
N-(2,6-dimethylphenyl)azepane-2-carboxamide
CID 64562214
N-(2,3-dimethylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119261898

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2,3-dimethylphenyl)pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of (2S)-N-(2,3-dimethylphenyl)pyrrolidine-2-carboxamide;hydrochloride (CID 119261902) is (2S)-N-(2,3-dimethylphenyl)pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for (2S)-N-(2,3-dimethylphenyl)pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for (2S)-N-(2,3-dimethylphenyl)pyrrolidine-2-carboxamide;hydrochloride is Cc1cccc(NC(=O)[C@@H]2CCCN2)c1C.Cl.
What is the InChIKey of (2S)-N-(2,3-dimethylphenyl)pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is AATBSNQDNGHZKR-YDALLXLXSA-N. The full InChI is InChI=1S/C13H18N2O.ClH/c1-9-5-3-6-11(10(9)2)15-13(16)12-7-4-8-14-12;/h3,5-6,12,14H,4,7-8H2,1-2H3,(H,15,16);1H/t12-;/m0./s1.
What are the key properties of (2S)-N-(2,3-dimethylphenyl)pyrrolidine-2-carboxamide;hydrochloride?
(2S)-N-(2,3-dimethylphenyl)pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 254.76 g/mol, XLogP of 2.42, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2,3-dimethylphenyl)pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119261902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).