(3R)-1-(4-chlorophenyl)-5-oxo-N-[(1S)-1-phenylethyl]pyrrolidine-3-carboxamide

C19H19ClN2O2 — CID 684343

IUPAC(3R)-1-(4-chlorophenyl)-5-oxo-N-[(1S)-1-phenylethyl]pyrrolidine-3-carboxamide
SMILESC[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1)c1ccccc1
InChIInChI=1S/C19H19ClN2O2/c1-13(14-5-3-2-4-6-14)21-19(24)15-11-18(23)22(12-15)17-9-7-16(20)8-10-17/h2-10,13,15H,11-12H2,1H3,(H,21,24)/t13-,15+/m0/s1
InChIKeyPRBVKBGBGXBEGR-DZGCQCFKSA-N
MW342.83 g/mol
LogP3.57
Rot. Bonds4

About (3R)-1-(4-chlorophenyl)-5-oxo-N-[(1S)-1-phenylethyl]pyrrolidine-3-carboxamide

(3R)-1-(4-chlorophenyl)-5-oxo-N-[(1S)-1-phenylethyl]pyrrolidine-3-carboxamide (PubChem CID 684343) has the molecular formula C19H19ClN2O2 and a molecular weight of 342.83 g/mol. Its IUPAC name is (3R)-1-(4-chlorophenyl)-5-oxo-N-[(1S)-1-phenylethyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(4-chlorophenyl)-5-oxo-N-[(1S)-1-phenylethyl]pyrrolidine-3-carboxamide
PubChem CID684343
Molecular FormulaC19H19ClN2O2
Molecular Weight342.83 g/mol
Exact Mass342.11
IUPAC Name(3R)-1-(4-chlorophenyl)-5-oxo-N-[(1S)-1-phenylethyl]pyrrolidine-3-carboxamide
SMILESC[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1)c1ccccc1
InChIInChI=1S/C19H19ClN2O2/c1-13(14-5-3-2-4-6-14)21-19(24)15-11-18(23)22(12-15)17-9-7-16(20)8-10-17/h2-10,13,15H,11-12H2,1H3,(H,21,24)/t13-,15+/m0/s1
InChIKeyPRBVKBGBGXBEGR-DZGCQCFKSA-N
XLogP3.57
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 ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methoxyphenyl)-5-oxo-N-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 4714649
(3S)-1-(4-chlorophenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 774003
(2S)-2-[[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid
CID 119238025
(3R)-1-(3,4-dimethylphenyl)-5-oxo-N-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 9392169
N-[1-(2-chlorophenyl)ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 46407436
1-(3-methylphenyl)-5-oxo-N-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 45010553
1-(2-fluorophenyl)-5-oxo-N-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 51175319
1-(4-methoxyphenyl)-N-[1-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 46921272
(3R)-1-(2-methylphenyl)-5-oxo-N-[(1S)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 41178267
(3R)-1-(4-chlorophenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 785744
(3R)-1-(4-chlorophenyl)-N-[(2S)-6-methylheptan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 9391280
(3S)-1-(2,6-diethylphenyl)-5-oxo-N-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 9056335

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-chlorophenyl)-5-oxo-N-[(1S)-1-phenylethyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-(4-chlorophenyl)-5-oxo-N-[(1S)-1-phenylethyl]pyrrolidine-3-carboxamide (CID 684343) is (3R)-1-(4-chlorophenyl)-5-oxo-N-[(1S)-1-phenylethyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(4-chlorophenyl)-5-oxo-N-[(1S)-1-phenylethyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-(4-chlorophenyl)-5-oxo-N-[(1S)-1-phenylethyl]pyrrolidine-3-carboxamide is C[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1)c1ccccc1.
What is the InChIKey of (3R)-1-(4-chlorophenyl)-5-oxo-N-[(1S)-1-phenylethyl]pyrrolidine-3-carboxamide?
The InChIKey is PRBVKBGBGXBEGR-DZGCQCFKSA-N. The full InChI is InChI=1S/C19H19ClN2O2/c1-13(14-5-3-2-4-6-14)21-19(24)15-11-18(23)22(12-15)17-9-7-16(20)8-10-17/h2-10,13,15H,11-12H2,1H3,(H,21,24)/t13-,15+/m0/s1.
What are the key properties of (3R)-1-(4-chlorophenyl)-5-oxo-N-[(1S)-1-phenylethyl]pyrrolidine-3-carboxamide?
(3R)-1-(4-chlorophenyl)-5-oxo-N-[(1S)-1-phenylethyl]pyrrolidine-3-carboxamide has a molecular weight of 342.83 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4-chlorophenyl)-5-oxo-N-[(1S)-1-phenylethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 684343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).