(3R)-1-benzyl-N-(5-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide

C19H19ClN2O2 — CID 8502392

IUPAC(3R)-1-benzyl-N-(5-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C19H19ClN2O2/c1-13-7-8-16(20)10-17(13)21-19(24)15-9-18(23)22(12-15)11-14-5-3-2-4-6-14/h2-8,10,15H,9,11-12H2,1H3,(H,21,24)/t15-/m1/s1
InChIKeyDMEXLNIOHBTYMX-OAHLLOKOSA-N
MW342.83 g/mol
LogP3.64
Rot. Bonds4

About (3R)-1-benzyl-N-(5-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide

(3R)-1-benzyl-N-(5-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 8502392) has the molecular formula C19H19ClN2O2 and a molecular weight of 342.83 g/mol. Its IUPAC name is (3R)-1-benzyl-N-(5-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-benzyl-N-(5-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID8502392
Molecular FormulaC19H19ClN2O2
Molecular Weight342.83 g/mol
Exact Mass342.11
IUPAC Name(3R)-1-benzyl-N-(5-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C19H19ClN2O2/c1-13-7-8-16(20)10-17(13)21-19(24)15-9-18(23)22(12-15)11-14-5-3-2-4-6-14/h2-8,10,15H,9,11-12H2,1H3,(H,21,24)/t15-/m1/s1
InChIKeyDMEXLNIOHBTYMX-OAHLLOKOSA-N
XLogP3.64
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-benzyl-N-(5-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8502393
(3S)-N-(5-chloro-2-methylphenyl)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 8502335
1-benzyl-N-(2-methyl-5-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 17478737
N-(5-chloro-2-methylphenyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 42956776
1-[(2-chlorophenyl)methyl]-N-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 78758974
(3R)-N-(5-chloro-2-methylphenyl)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 7337070
N-(2,4-dichlorophenyl)-1-[(2-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113183254
(3R)-N-(2,5-dichlorophenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 26086140
(3R)-N-(4-chloro-2-fluorophenyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 7774556
(3S)-1-benzyl-N-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 2372506
(3S)-1-[(4-fluorophenyl)methyl]-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 35767596
1-benzyl-N-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42992516

Frequently Asked Questions

What is the IUPAC name of (3R)-1-benzyl-N-(5-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-benzyl-N-(5-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 8502392) is (3R)-1-benzyl-N-(5-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-benzyl-N-(5-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-benzyl-N-(5-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide is Cc1ccc(Cl)cc1NC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1.
What is the InChIKey of (3R)-1-benzyl-N-(5-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is DMEXLNIOHBTYMX-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H19ClN2O2/c1-13-7-8-16(20)10-17(13)21-19(24)15-9-18(23)22(12-15)11-14-5-3-2-4-6-14/h2-8,10,15H,9,11-12H2,1H3,(H,21,24)/t15-/m1/s1.
What are the key properties of (3R)-1-benzyl-N-(5-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
(3R)-1-benzyl-N-(5-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 342.83 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-benzyl-N-(5-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 8502392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).