(2S)-1-(4-chlorobenzoyl)-N-(3-methylphenyl)pyrrolidine-2-carboxamide

C19H19ClN2O2 — CID 92664894

IUPAC(2S)-1-(4-chlorobenzoyl)-N-(3-methylphenyl)pyrrolidine-2-carboxamide
SMILESCc1cccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C19H19ClN2O2/c1-13-4-2-5-16(12-13)21-18(23)17-6-3-11-22(17)19(24)14-7-9-15(20)10-8-14/h2,4-5,7-10,12,17H,3,6,11H2,1H3,(H,21,23)/t17-/m0/s1
InChIKeyIPMNVBRCXYMTHX-KRWDZBQOSA-N
MW342.83 g/mol
LogP3.89
Rot. Bonds3

About (2S)-1-(4-chlorobenzoyl)-N-(3-methylphenyl)pyrrolidine-2-carboxamide

(2S)-1-(4-chlorobenzoyl)-N-(3-methylphenyl)pyrrolidine-2-carboxamide (PubChem CID 92664894) has the molecular formula C19H19ClN2O2 and a molecular weight of 342.83 g/mol. Its IUPAC name is (2S)-1-(4-chlorobenzoyl)-N-(3-methylphenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-(4-chlorobenzoyl)-N-(3-methylphenyl)pyrrolidine-2-carboxamide
PubChem CID92664894
Molecular FormulaC19H19ClN2O2
Molecular Weight342.83 g/mol
Exact Mass342.11
IUPAC Name(2S)-1-(4-chlorobenzoyl)-N-(3-methylphenyl)pyrrolidine-2-carboxamide
SMILESCc1cccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C19H19ClN2O2/c1-13-4-2-5-16(12-13)21-18(23)17-6-3-11-22(17)19(24)14-7-9-15(20)10-8-14/h2,4-5,7-10,12,17H,3,6,11H2,1H3,(H,21,23)/t17-/m0/s1
InChIKeyIPMNVBRCXYMTHX-KRWDZBQOSA-N
XLogP3.89
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 53.89
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-(3-fluorobenzoyl)-N-(3-methylphenyl)pyrrolidine-2-carboxamide
CID 25239363
(2S)-1-(4-methylbenzoyl)-N-phenylpyrrolidine-2-carboxamide
CID 92668343
(2R)-2-N-(3-acetamidophenyl)-1-N-(3-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 1442935
N-(3,5-dimethylphenyl)-1-(4-fluorobenzoyl)pyrrolidine-2-carboxamide
CID 46745579
N-(4-fluorophenyl)-1-(3-methylbenzoyl)pyrrolidine-2-carboxamide
CID 46747298
(2R)-N-(4-fluorophenyl)-1-(3-methylbenzoyl)pyrrolidine-2-carboxamide
CID 92666052
(2S)-1-acetyl-N-(3-chlorophenyl)pyrrolidine-2-carboxamide
CID 91903420
tert-butyl 2-[(3-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 2884114
(2S)-1-(4-chlorobenzoyl)-N-(2-fluorophenyl)pyrrolidine-2-carboxamide
CID 92664892
N-(3,5-dichlorophenyl)-1-[3-(propanoylamino)benzoyl]pyrrolidine-2-carboxamide
CID 55873911
phenyl (2S)-2-[(3-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 6543354

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-chlorobenzoyl)-N-(3-methylphenyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-(4-chlorobenzoyl)-N-(3-methylphenyl)pyrrolidine-2-carboxamide (CID 92664894) is (2S)-1-(4-chlorobenzoyl)-N-(3-methylphenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-(4-chlorobenzoyl)-N-(3-methylphenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-(4-chlorobenzoyl)-N-(3-methylphenyl)pyrrolidine-2-carboxamide is Cc1cccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc(Cl)cc2)c1.
What is the InChIKey of (2S)-1-(4-chlorobenzoyl)-N-(3-methylphenyl)pyrrolidine-2-carboxamide?
The InChIKey is IPMNVBRCXYMTHX-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H19ClN2O2/c1-13-4-2-5-16(12-13)21-18(23)17-6-3-11-22(17)19(24)14-7-9-15(20)10-8-14/h2,4-5,7-10,12,17H,3,6,11H2,1H3,(H,21,23)/t17-/m0/s1.
What are the key properties of (2S)-1-(4-chlorobenzoyl)-N-(3-methylphenyl)pyrrolidine-2-carboxamide?
(2S)-1-(4-chlorobenzoyl)-N-(3-methylphenyl)pyrrolidine-2-carboxamide has a molecular weight of 342.83 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-chlorobenzoyl)-N-(3-methylphenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 92664894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).