(2S)-1-(4-methylbenzoyl)-N-phenylpyrrolidine-2-carboxamide

C19H20N2O2 — CID 92668343

IUPAC(2S)-1-(4-methylbenzoyl)-N-phenylpyrrolidine-2-carboxamide
SMILESCc1ccc(C(=O)N2CCC[C@H]2C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C19H20N2O2/c1-14-9-11-15(12-10-14)19(23)21-13-5-8-17(21)18(22)20-16-6-3-2-4-7-16/h2-4,6-7,9-12,17H,5,8,13H2,1H3,(H,20,22)/t17-/m0/s1
InChIKeyCHMJSVIBIBQPAR-KRWDZBQOSA-N
MW308.38 g/mol
LogP3.24
Rot. Bonds3

About (2S)-1-(4-methylbenzoyl)-N-phenylpyrrolidine-2-carboxamide

(2S)-1-(4-methylbenzoyl)-N-phenylpyrrolidine-2-carboxamide (PubChem CID 92668343) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is (2S)-1-(4-methylbenzoyl)-N-phenylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-(4-methylbenzoyl)-N-phenylpyrrolidine-2-carboxamide
PubChem CID92668343
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name(2S)-1-(4-methylbenzoyl)-N-phenylpyrrolidine-2-carboxamide
SMILESCc1ccc(C(=O)N2CCC[C@H]2C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C19H20N2O2/c1-14-9-11-15(12-10-14)19(23)21-13-5-8-17(21)18(22)20-16-6-3-2-4-7-16/h2-4,6-7,9-12,17H,5,8,13H2,1H3,(H,20,22)/t17-/m0/s1
InChIKeyCHMJSVIBIBQPAR-KRWDZBQOSA-N
XLogP3.24
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methylbenzoyl)-N-(3-methylphenyl)pyrrolidine-2-carboxamide
CID 46756185
1-benzoyl-N-pyridin-4-ylpyrrolidine-2-carboxamide
CID 138995698
(2S)-1-benzoyl-N-(4-ethylphenyl)pyrrolidine-2-carboxamide
CID 92668243
[1-(4-methylbenzoyl)pyrrolidin-2-yl]-phenylmethanone
CID 110357637
(2S)-1-(4-chlorobenzoyl)-N-(3-methylphenyl)pyrrolidine-2-carboxamide
CID 92664894
(2S)-2-(phenylcarbamoyl)pyrrolidine-1-carboxylic acid
CID 69195937
(2S)-1-(2-fluorobenzoyl)-N-(4-methylphenyl)pyrrolidine-2-carboxamide
CID 92668196
(2S)-1-acetyl-N-(4-methylphenyl)pyrrolidine-2-carboxamide
CID 784723
N-(3,5-dimethylphenyl)-1-(4-fluorobenzoyl)pyrrolidine-2-carboxamide
CID 46745579
(2R)-1-benzoyl-N-(4-tert-butylphenyl)piperidine-2-carboxamide
CID 25473012
phenyl 2-[(4-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 655757
N-cyclopentyl-1-(4-methylbenzoyl)pyrrolidine-2-carboxamide
CID 53015958

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-methylbenzoyl)-N-phenylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-(4-methylbenzoyl)-N-phenylpyrrolidine-2-carboxamide (CID 92668343) is (2S)-1-(4-methylbenzoyl)-N-phenylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-(4-methylbenzoyl)-N-phenylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-(4-methylbenzoyl)-N-phenylpyrrolidine-2-carboxamide is Cc1ccc(C(=O)N2CCC[C@H]2C(=O)Nc2ccccc2)cc1.
What is the InChIKey of (2S)-1-(4-methylbenzoyl)-N-phenylpyrrolidine-2-carboxamide?
The InChIKey is CHMJSVIBIBQPAR-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-14-9-11-15(12-10-14)19(23)21-13-5-8-17(21)18(22)20-16-6-3-2-4-7-16/h2-4,6-7,9-12,17H,5,8,13H2,1H3,(H,20,22)/t17-/m0/s1.
What are the key properties of (2S)-1-(4-methylbenzoyl)-N-phenylpyrrolidine-2-carboxamide?
(2S)-1-(4-methylbenzoyl)-N-phenylpyrrolidine-2-carboxamide has a molecular weight of 308.38 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 (2S)-1-(4-methylbenzoyl)-N-phenylpyrrolidine-2-carboxamide is sourced from PubChem (CID 92668343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).