(3R)-N-[(2S)-1-(3-chlorophenyl)propan-2-yl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide

C17H21ClN2O2 — CID 51726227

IUPAC(3R)-N-[(2S)-1-(3-chlorophenyl)propan-2-yl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide
SMILESC[C@@H](Cc1cccc(Cl)c1)NC(=O)[C@@H]1CC(=O)N(C2CC2)C1
InChIInChI=1S/C17H21ClN2O2/c1-11(7-12-3-2-4-14(18)8-12)19-17(22)13-9-16(21)20(10-13)15-5-6-15/h2-4,8,11,13,15H,5-7,9-10H2,1H3,(H,19,22)/t11-,13+/m0/s1
InChIKeyJPXSNZZNZLMIHZ-WCQYABFASA-N
MW320.82 g/mol
LogP2.40
Rot. Bonds5

About (3R)-N-[(2S)-1-(3-chlorophenyl)propan-2-yl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide

(3R)-N-[(2S)-1-(3-chlorophenyl)propan-2-yl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 51726227) has the molecular formula C17H21ClN2O2 and a molecular weight of 320.82 g/mol. Its IUPAC name is (3R)-N-[(2S)-1-(3-chlorophenyl)propan-2-yl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(2S)-1-(3-chlorophenyl)propan-2-yl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide
PubChem CID51726227
Molecular FormulaC17H21ClN2O2
Molecular Weight320.82 g/mol
Exact Mass320.13
IUPAC Name(3R)-N-[(2S)-1-(3-chlorophenyl)propan-2-yl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide
SMILESC[C@@H](Cc1cccc(Cl)c1)NC(=O)[C@@H]1CC(=O)N(C2CC2)C1
InChIInChI=1S/C17H21ClN2O2/c1-11(7-12-3-2-4-14(18)8-12)19-17(22)13-9-16(21)20(10-13)15-5-6-15/h2-4,8,11,13,15H,5-7,9-10H2,1H3,(H,19,22)/t11-,13+/m0/s1
InChIKeyJPXSNZZNZLMIHZ-WCQYABFASA-N
XLogP2.40
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.82
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3-chlorophenyl)propan-2-yl]pyrrolidine-3-carboxamide
CID 63006245
(3S)-1-cyclopropyl-N-[(1S)-1,2-diphenylethyl]-5-oxopyrrolidine-3-carboxamide
CID 32580925
N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 72931407
cis-(1S,2R)-2-[1-(3-chlorophenyl)propan-2-ylcarbamoyl]cyclopropane-1-carboxylic acid
CID 114091892
N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 55495860
(3R)-N-[(2R)-1-(3-chlorophenyl)propan-2-yl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 51950210
N-[(2S)-1-(3-chlorophenyl)propan-2-yl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 51950205
(3R)-1-cyclopropyl-N-[[3-(difluoromethoxy)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 94348927
2-[(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)amino]butanoic acid
CID 43469521
2-[(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)amino]-3-methylpentanoic acid
CID 43356547
trans-(1R,2R)-N-[2-[[(2R)-1-(3-chlorophenyl)propan-2-yl]amino]-2-oxoethyl]-2-methylcyclopropane-1-carboxamide
CID 124838795
1-(3-chlorophenyl)-3-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]urea
CID 110747933

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(2S)-1-(3-chlorophenyl)propan-2-yl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-[(2S)-1-(3-chlorophenyl)propan-2-yl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide (CID 51726227) is (3R)-N-[(2S)-1-(3-chlorophenyl)propan-2-yl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(2S)-1-(3-chlorophenyl)propan-2-yl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-[(2S)-1-(3-chlorophenyl)propan-2-yl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide is C[C@@H](Cc1cccc(Cl)c1)NC(=O)[C@@H]1CC(=O)N(C2CC2)C1.
What is the InChIKey of (3R)-N-[(2S)-1-(3-chlorophenyl)propan-2-yl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is JPXSNZZNZLMIHZ-WCQYABFASA-N. The full InChI is InChI=1S/C17H21ClN2O2/c1-11(7-12-3-2-4-14(18)8-12)19-17(22)13-9-16(21)20(10-13)15-5-6-15/h2-4,8,11,13,15H,5-7,9-10H2,1H3,(H,19,22)/t11-,13+/m0/s1.
What are the key properties of (3R)-N-[(2S)-1-(3-chlorophenyl)propan-2-yl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide?
(3R)-N-[(2S)-1-(3-chlorophenyl)propan-2-yl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 320.82 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(2S)-1-(3-chlorophenyl)propan-2-yl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 51726227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).