(2S)-2-(2-methylphenyl)-N-phenylpyrrolidine-1-carboxamide

C18H20N2O — CID 51856075

IUPAC(2S)-2-(2-methylphenyl)-N-phenylpyrrolidine-1-carboxamide
SMILESCc1ccccc1[C@@H]1CCCN1C(=O)Nc1ccccc1
InChIInChI=1S/C18H20N2O/c1-14-8-5-6-11-16(14)17-12-7-13-20(17)18(21)19-15-9-3-2-4-10-15/h2-6,8-11,17H,7,12-13H2,1H3,(H,19,21)/t17-/m0/s1
InChIKeyLAQNYTMQOIBHIQ-KRWDZBQOSA-N
MW280.37 g/mol
LogP4.36
Rot. Bonds2

About (2S)-2-(2-methylphenyl)-N-phenylpyrrolidine-1-carboxamide

(2S)-2-(2-methylphenyl)-N-phenylpyrrolidine-1-carboxamide (PubChem CID 51856075) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is (2S)-2-(2-methylphenyl)-N-phenylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-2-(2-methylphenyl)-N-phenylpyrrolidine-1-carboxamide
PubChem CID51856075
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name(2S)-2-(2-methylphenyl)-N-phenylpyrrolidine-1-carboxamide
SMILESCc1ccccc1[C@@H]1CCCN1C(=O)Nc1ccccc1
InChIInChI=1S/C18H20N2O/c1-14-8-5-6-11-16(14)17-12-7-13-20(17)18(21)19-15-9-3-2-4-10-15/h2-6,8-11,17H,7,12-13H2,1H3,(H,19,21)/t17-/m0/s1
InChIKeyLAQNYTMQOIBHIQ-KRWDZBQOSA-N
XLogP4.36
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-(2-methylphenyl)-N-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 51855883
2-(2-methylphenyl)-N-pyridin-4-ylpyrrolidine-1-carboxamide
CID 138993661
3-[2-(2-methylphenyl)pyrrolidine-1-carbonyl]-N-phenylpiperidine-1-carboxamide
CID 55982371
(2S)-N-(3-methoxyphenyl)-2-(2-methylphenyl)pyrrolidine-1-carboxamide
CID 51856233
(2R)-N-(3,4-dimethoxyphenyl)-2-(2-methylphenyl)pyrrolidine-1-carboxamide
CID 51856038
(2S)-2-(2-methylphenyl)-N-[3-(5-methyltetrazol-1-yl)phenyl]pyrrolidine-1-carboxamide
CID 94164440
(2R)-2-(2-methylphenyl)-N-phenylmethoxypyrrolidine-1-carboxamide
CID 94867549
(2S)-2-(2-methylphenyl)-N-(2-nitrophenyl)pyrrolidine-1-carboxamide
CID 94080933
2-(3-methylthiophen-2-yl)-N-phenylazepane-1-carboxamide
CID 22586846
N-[3-acetamido-5-[2-(2-methylphenyl)pyrrolidine-1-carbonyl]phenyl]acetamide
CID 47067221
[2-(2-methylphenyl)pyrrolidin-1-yl]-piperidin-4-ylmethanone
CID 60947724
N-[3-(imidazol-1-ylmethyl)phenyl]-2-(2-methylphenyl)pyrrolidine-1-carboxamide
CID 47050883

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-methylphenyl)-N-phenylpyrrolidine-1-carboxamide?
The IUPAC name of (2S)-2-(2-methylphenyl)-N-phenylpyrrolidine-1-carboxamide (CID 51856075) is (2S)-2-(2-methylphenyl)-N-phenylpyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-2-(2-methylphenyl)-N-phenylpyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-2-(2-methylphenyl)-N-phenylpyrrolidine-1-carboxamide is Cc1ccccc1[C@@H]1CCCN1C(=O)Nc1ccccc1.
What is the InChIKey of (2S)-2-(2-methylphenyl)-N-phenylpyrrolidine-1-carboxamide?
The InChIKey is LAQNYTMQOIBHIQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H20N2O/c1-14-8-5-6-11-16(14)17-12-7-13-20(17)18(21)19-15-9-3-2-4-10-15/h2-6,8-11,17H,7,12-13H2,1H3,(H,19,21)/t17-/m0/s1.
What are the key properties of (2S)-2-(2-methylphenyl)-N-phenylpyrrolidine-1-carboxamide?
(2S)-2-(2-methylphenyl)-N-phenylpyrrolidine-1-carboxamide has a molecular weight of 280.37 g/mol, XLogP of 4.36, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-methylphenyl)-N-phenylpyrrolidine-1-carboxamide is sourced from PubChem (CID 51856075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).