N-[2-(4-chlorophenyl)propan-2-yl]-5-oxopyrrolidine-2-carboxamide

C14H17ClN2O2 — CID 110445231

IUPACN-[2-(4-chlorophenyl)propan-2-yl]-5-oxopyrrolidine-2-carboxamide
SMILESCC(C)(NC(=O)C1CCC(=O)N1)c1ccc(Cl)cc1
InChIInChI=1S/C14H17ClN2O2/c1-14(2,9-3-5-10(15)6-4-9)17-13(19)11-7-8-12(18)16-11/h3-6,11H,7-8H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyKRHCUAIQILVLEB-UHFFFAOYSA-N
MW280.75 g/mol
LogP1.97
Rot. Bonds3

About N-[2-(4-chlorophenyl)propan-2-yl]-5-oxopyrrolidine-2-carboxamide

N-[2-(4-chlorophenyl)propan-2-yl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 110445231) has the molecular formula C14H17ClN2O2 and a molecular weight of 280.75 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)propan-2-yl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)propan-2-yl]-5-oxopyrrolidine-2-carboxamide
PubChem CID110445231
Molecular FormulaC14H17ClN2O2
Molecular Weight280.75 g/mol
Exact Mass280.10
IUPAC NameN-[2-(4-chlorophenyl)propan-2-yl]-5-oxopyrrolidine-2-carboxamide
SMILESCC(C)(NC(=O)C1CCC(=O)N1)c1ccc(Cl)cc1
InChIInChI=1S/C14H17ClN2O2/c1-14(2,9-3-5-10(15)6-4-9)17-13(19)11-7-8-12(18)16-11/h3-6,11H,7-8H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyKRHCUAIQILVLEB-UHFFFAOYSA-N
XLogP1.97
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.75
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-[3-(4-chlorophenyl)pentan-3-yl]-5-oxopyrrolidine-2-carboxamide
CID 95331327
N-[2-(4-chlorophenyl)propan-2-yl]oxane-4-carboxamide
CID 113091859
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-5-oxopyrrolidine-2-carboxamide
CID 103933214
2-methyl-2-[(5-oxopyrrolidine-2-carbonyl)amino]propanoic acid
CID 61261305
(2R)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-5-oxopyrrolidine-2-carboxamide
CID 103895358
N-[(4-tert-butylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 110793335
(2R)-N-(4-hydroxy-2-methylbutan-2-yl)-5-oxopyrrolidine-2-carboxamide
CID 103874927
N-[2-(4-tert-butylphenyl)propan-2-yl]-2-oxopiperidine-4-carboxamide
CID 167913357
(2S)-N-[(S)-(4-chlorophenyl)-cyclobutylmethyl]-5-oxopyrrolidine-2-carboxamide
CID 95342739
(2R)-N-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide
CID 95271416
(2S)-N-(3,5-dichlorophenyl)-5-oxopyrrolidine-2-carboxamide
CID 26469933
N-(1-amino-2,3-dimethylbutan-2-yl)-5-oxopyrrolidine-2-carboxamide
CID 81487399

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)propan-2-yl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)propan-2-yl]-5-oxopyrrolidine-2-carboxamide (CID 110445231) is N-[2-(4-chlorophenyl)propan-2-yl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)propan-2-yl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)propan-2-yl]-5-oxopyrrolidine-2-carboxamide is CC(C)(NC(=O)C1CCC(=O)N1)c1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)propan-2-yl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is KRHCUAIQILVLEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2/c1-14(2,9-3-5-10(15)6-4-9)17-13(19)11-7-8-12(18)16-11/h3-6,11H,7-8H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of N-[2-(4-chlorophenyl)propan-2-yl]-5-oxopyrrolidine-2-carboxamide?
N-[2-(4-chlorophenyl)propan-2-yl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 280.75 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)propan-2-yl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 110445231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).