(2R,3R)-N-[(2-chlorophenyl)methyl]-1-methyl-5-oxo-2-phenylpyrrolidine-3-carboxamide

C19H19ClN2O2 — CID 29130506

IUPAC(2R,3R)-N-[(2-chlorophenyl)methyl]-1-methyl-5-oxo-2-phenylpyrrolidine-3-carboxamide
SMILESCN1C(=O)C[C@@H](C(=O)NCc2ccccc2Cl)[C@@H]1c1ccccc1
InChIInChI=1S/C19H19ClN2O2/c1-22-17(23)11-15(18(22)13-7-3-2-4-8-13)19(24)21-12-14-9-5-6-10-16(14)20/h2-10,15,18H,11-12H2,1H3,(H,21,24)/t15-,18+/m1/s1
InChIKeyZBQGXOQGEKACLK-QAPCUYQASA-N
MW342.83 g/mol
LogP3.18
Rot. Bonds4

About (2R,3R)-N-[(2-chlorophenyl)methyl]-1-methyl-5-oxo-2-phenylpyrrolidine-3-carboxamide

(2R,3R)-N-[(2-chlorophenyl)methyl]-1-methyl-5-oxo-2-phenylpyrrolidine-3-carboxamide (PubChem CID 29130506) has the molecular formula C19H19ClN2O2 and a molecular weight of 342.83 g/mol. Its IUPAC name is (2R,3R)-N-[(2-chlorophenyl)methyl]-1-methyl-5-oxo-2-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(2R,3R)-N-[(2-chlorophenyl)methyl]-1-methyl-5-oxo-2-phenylpyrrolidine-3-carboxamide
PubChem CID29130506
Molecular FormulaC19H19ClN2O2
Molecular Weight342.83 g/mol
Exact Mass342.11
IUPAC Name(2R,3R)-N-[(2-chlorophenyl)methyl]-1-methyl-5-oxo-2-phenylpyrrolidine-3-carboxamide
SMILESCN1C(=O)C[C@@H](C(=O)NCc2ccccc2Cl)[C@@H]1c1ccccc1
InChIInChI=1S/C19H19ClN2O2/c1-22-17(23)11-15(18(22)13-7-3-2-4-8-13)19(24)21-12-14-9-5-6-10-16(14)20/h2-10,15,18H,11-12H2,1H3,(H,21,24)/t15-,18+/m1/s1
InChIKeyZBQGXOQGEKACLK-QAPCUYQASA-N
XLogP3.18
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 ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3S)-N-[(2S)-2-hydroxy-2-phenylethyl]-1-methyl-5-oxo-2-phenylpyrrolidine-3-carboxamide
CID 29134238
(2S,3S)-1-methyl-5-oxo-2-phenyl-N-(2-pyrrol-1-ylethyl)pyrrolidine-3-carboxamide
CID 125431962
3-[[2-(3-chlorophenyl)-1-methyl-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid
CID 119177320
4-[[[2-(3-chlorophenyl)-1-methyl-5-oxopyrrolidine-3-carbonyl]amino]methyl]benzoic acid
CID 119165542
(2S,3R)-N-(2-hydroxyphenyl)-1-methyl-5-oxo-2-phenylpyrrolidine-3-carboxamide
CID 29136577
(2S,3R)-1-methyl-N-[(2-methylphenyl)methyl]-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxamide
CID 97457005
(2R,3S)-2-(3-chlorophenyl)-1-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 97317117
(2S,3S)-2-(3-chlorophenyl)-1-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 97317115
N-(4-hydroxyphenyl)-1-methyl-5-oxo-2-phenylpyrrolidine-3-carboxamide
CID 42651384
(2R,3S)-N-(4-hydroxyphenyl)-1-methyl-5-oxo-2-phenylpyrrolidine-3-carboxamide
CID 29131499
(2R,3R)-1-methyl-N-naphthalen-1-yl-5-oxo-2-phenylpyrrolidine-3-carboxamide
CID 29130811
2-N-[(2-chlorophenyl)methyl]-1-N-(2-methylpropyl)cyclopropane-1,2-dicarboxamide
CID 109131432

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-N-[(2-chlorophenyl)methyl]-1-methyl-5-oxo-2-phenylpyrrolidine-3-carboxamide?
The IUPAC name of (2R,3R)-N-[(2-chlorophenyl)methyl]-1-methyl-5-oxo-2-phenylpyrrolidine-3-carboxamide (CID 29130506) is (2R,3R)-N-[(2-chlorophenyl)methyl]-1-methyl-5-oxo-2-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for (2R,3R)-N-[(2-chlorophenyl)methyl]-1-methyl-5-oxo-2-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for (2R,3R)-N-[(2-chlorophenyl)methyl]-1-methyl-5-oxo-2-phenylpyrrolidine-3-carboxamide is CN1C(=O)C[C@@H](C(=O)NCc2ccccc2Cl)[C@@H]1c1ccccc1.
What is the InChIKey of (2R,3R)-N-[(2-chlorophenyl)methyl]-1-methyl-5-oxo-2-phenylpyrrolidine-3-carboxamide?
The InChIKey is ZBQGXOQGEKACLK-QAPCUYQASA-N. The full InChI is InChI=1S/C19H19ClN2O2/c1-22-17(23)11-15(18(22)13-7-3-2-4-8-13)19(24)21-12-14-9-5-6-10-16(14)20/h2-10,15,18H,11-12H2,1H3,(H,21,24)/t15-,18+/m1/s1.
What are the key properties of (2R,3R)-N-[(2-chlorophenyl)methyl]-1-methyl-5-oxo-2-phenylpyrrolidine-3-carboxamide?
(2R,3R)-N-[(2-chlorophenyl)methyl]-1-methyl-5-oxo-2-phenylpyrrolidine-3-carboxamide has a molecular weight of 342.83 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N-[(2-chlorophenyl)methyl]-1-methyl-5-oxo-2-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 29130506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).