(2S)-N-(3,5-dimethylphenyl)pyrrolidine-2-carboxamide;hydrochloride

C13H19ClN2O — CID 67505940

IUPAC(2S)-N-(3,5-dimethylphenyl)pyrrolidine-2-carboxamide;hydrochloride
SMILESCc1cc(C)cc(NC(=O)[C@@H]2CCCN2)c1.Cl
InChIInChI=1S/C13H18N2O.ClH/c1-9-6-10(2)8-11(7-9)15-13(16)12-4-3-5-14-12;/h6-8,12,14H,3-5H2,1-2H3,(H,15,16);1H/t12-;/m0./s1
InChIKeyZUXORUOIXXGXQQ-YDALLXLXSA-N
MW254.76 g/mol
LogP2.42
Rot. Bonds2

About (2S)-N-(3,5-dimethylphenyl)pyrrolidine-2-carboxamide;hydrochloride

(2S)-N-(3,5-dimethylphenyl)pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 67505940) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is (2S)-N-(3,5-dimethylphenyl)pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S)-N-(3,5-dimethylphenyl)pyrrolidine-2-carboxamide;hydrochloride
PubChem CID67505940
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name(2S)-N-(3,5-dimethylphenyl)pyrrolidine-2-carboxamide;hydrochloride
SMILESCc1cc(C)cc(NC(=O)[C@@H]2CCCN2)c1.Cl
InChIInChI=1S/C13H18N2O.ClH/c1-9-6-10(2)8-11(7-9)15-13(16)12-4-3-5-14-12;/h6-8,12,14H,3-5H2,1-2H3,(H,15,16);1H/t12-;/m0./s1
InChIKeyZUXORUOIXXGXQQ-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

(2R)-N-(4-bromo-3,5-dimethylphenyl)pyrrolidine-2-carboxamide
CID 107574285
(2S)-N-(5-methyl-3-pyridinyl)pyrrolidine-2-carboxamide;dihydrochloride
CID 119884720
(2R)-N-(4-methylphenyl)piperidine-2-carboxamide;hydrochloride
CID 119670939
N-(5-methyl-3-pyridinyl)piperidine-2-carboxamide
CID 103814497
N-(3,4,5-trifluorophenyl)pyrrolidine-2-carboxamide
CID 55119315
N-(3,5-difluoro-4-iodophenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119312522
(2S)-N-(4-acetamidophenyl)pyrrolidine-2-carboxamide
CID 22691413
N-(3,5-dichloro-4-methoxyphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119312729
N-(3,5-dichloro-4-hydroxyphenyl)pyrrolidine-2-carboxamide
CID 107680422
(2S)-N-(3-bromo-5-methoxyphenyl)pyrrolidine-2-carboxamide
CID 82867240
(2R)-N-(3,4,5-trifluorophenyl)piperidine-2-carboxamide;hydrochloride
CID 119707989
N-(3-iodo-4-methylphenyl)pyrrolidine-2-carboxamide
CID 43233890

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3,5-dimethylphenyl)pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of (2S)-N-(3,5-dimethylphenyl)pyrrolidine-2-carboxamide;hydrochloride (CID 67505940) is (2S)-N-(3,5-dimethylphenyl)pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for (2S)-N-(3,5-dimethylphenyl)pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for (2S)-N-(3,5-dimethylphenyl)pyrrolidine-2-carboxamide;hydrochloride is Cc1cc(C)cc(NC(=O)[C@@H]2CCCN2)c1.Cl.
What is the InChIKey of (2S)-N-(3,5-dimethylphenyl)pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is ZUXORUOIXXGXQQ-YDALLXLXSA-N. The full InChI is InChI=1S/C13H18N2O.ClH/c1-9-6-10(2)8-11(7-9)15-13(16)12-4-3-5-14-12;/h6-8,12,14H,3-5H2,1-2H3,(H,15,16);1H/t12-;/m0./s1.
What are the key properties of (2S)-N-(3,5-dimethylphenyl)pyrrolidine-2-carboxamide;hydrochloride?
(2S)-N-(3,5-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-(3,5-dimethylphenyl)pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 67505940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).