(3S)-1-methyl-N-(2-phenylphenyl)pyrrolidine-3-carboxamide

C18H20N2O — CID 95338001

IUPAC(3S)-1-methyl-N-(2-phenylphenyl)pyrrolidine-3-carboxamide
SMILESCN1CC[C@H](C(=O)Nc2ccccc2-c2ccccc2)C1
InChIInChI=1S/C18H20N2O/c1-20-12-11-15(13-20)18(21)19-17-10-6-5-9-16(17)14-7-3-2-4-8-14/h2-10,15H,11-13H2,1H3,(H,19,21)/t15-/m0/s1
InChIKeyNOHGGNUSUBGQEF-HNNXBMFYSA-N
MW280.37 g/mol
LogP3.24
Rot. Bonds3

About (3S)-1-methyl-N-(2-phenylphenyl)pyrrolidine-3-carboxamide

(3S)-1-methyl-N-(2-phenylphenyl)pyrrolidine-3-carboxamide (PubChem CID 95338001) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is (3S)-1-methyl-N-(2-phenylphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-methyl-N-(2-phenylphenyl)pyrrolidine-3-carboxamide
PubChem CID95338001
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name(3S)-1-methyl-N-(2-phenylphenyl)pyrrolidine-3-carboxamide
SMILESCN1CC[C@H](C(=O)Nc2ccccc2-c2ccccc2)C1
InChIInChI=1S/C18H20N2O/c1-20-12-11-15(13-20)18(21)19-17-10-6-5-9-16(17)14-7-3-2-4-8-14/h2-10,15H,11-13H2,1H3,(H,19,21)/t15-/m0/s1
InChIKeyNOHGGNUSUBGQEF-HNNXBMFYSA-N
XLogP3.24
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-methyl-N-(2-phenylphenyl)pyrrolidine-3-carboxamide
CID 95338002
N-(2-chlorophenyl)-1-methylpyrrolidine-3-carboxamide
CID 110858756
N-[2-(ethylaminomethyl)phenyl]-1-methylpyrrolidine-3-carboxamide
CID 54938600
(1-methylpiperidin-4-yl) N-(2-phenylphenyl)carbamate
CID 53318454
1-(dimethylsulfamoyl)-N-(2-phenylphenyl)piperidine-4-carboxamide
CID 41455218
(3R)-1-(benzenesulfonyl)-N-(2-phenylphenyl)piperidine-3-carboxamide
CID 1445014
3-amino-N-(2-phenylphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119675324
5-iodo-2-[(1-methylpyrrolidine-3-carbonyl)amino]benzoic acid
CID 63110712
3-fluoro-4-[(1-methylpyrrolidine-3-carbonyl)amino]benzoic acid
CID 63189730
N-(2-tert-butylphenyl)-1-methylpiperidine-4-carboxamide
CID 110693521
2-methyl-4-[(1-methylpyrrolidine-3-carbonyl)amino]-1H-pyrrole-3-carboxylic acid
CID 82881244
(3S)-1-cyclopentyl-5-oxo-N-(2-phenylphenyl)pyrrolidine-3-carboxamide
CID 51630288

Frequently Asked Questions

What is the IUPAC name of (3S)-1-methyl-N-(2-phenylphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-methyl-N-(2-phenylphenyl)pyrrolidine-3-carboxamide (CID 95338001) is (3S)-1-methyl-N-(2-phenylphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-methyl-N-(2-phenylphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-methyl-N-(2-phenylphenyl)pyrrolidine-3-carboxamide is CN1CC[C@H](C(=O)Nc2ccccc2-c2ccccc2)C1.
What is the InChIKey of (3S)-1-methyl-N-(2-phenylphenyl)pyrrolidine-3-carboxamide?
The InChIKey is NOHGGNUSUBGQEF-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-20-12-11-15(13-20)18(21)19-17-10-6-5-9-16(17)14-7-3-2-4-8-14/h2-10,15H,11-13H2,1H3,(H,19,21)/t15-/m0/s1.
What are the key properties of (3S)-1-methyl-N-(2-phenylphenyl)pyrrolidine-3-carboxamide?
(3S)-1-methyl-N-(2-phenylphenyl)pyrrolidine-3-carboxamide has a molecular weight of 280.37 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-methyl-N-(2-phenylphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 95338001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).