1-[(2-chlorophenyl)methyl]-5-oxo-N-propan-2-ylpyrrolidine-2-carboxamide

C15H19ClN2O2 — CID 4062433

IUPAC1-[(2-chlorophenyl)methyl]-5-oxo-N-propan-2-ylpyrrolidine-2-carboxamide
SMILESCC(C)NC(=O)C1CCC(=O)N1Cc1ccccc1Cl
InChIInChI=1S/C15H19ClN2O2/c1-10(2)17-15(20)13-7-8-14(19)18(13)9-11-5-3-4-6-12(11)16/h3-6,10,13H,7-9H2,1-2H3,(H,17,20)
InChIKeyLUVVPZUSXRWNEG-UHFFFAOYSA-N
MW294.78 g/mol
LogP2.36
Rot. Bonds4

About 1-[(2-chlorophenyl)methyl]-5-oxo-N-propan-2-ylpyrrolidine-2-carboxamide

1-[(2-chlorophenyl)methyl]-5-oxo-N-propan-2-ylpyrrolidine-2-carboxamide (PubChem CID 4062433) has the molecular formula C15H19ClN2O2 and a molecular weight of 294.78 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-5-oxo-N-propan-2-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-5-oxo-N-propan-2-ylpyrrolidine-2-carboxamide
PubChem CID4062433
Molecular FormulaC15H19ClN2O2
Molecular Weight294.78 g/mol
Exact Mass294.11
IUPAC Name1-[(2-chlorophenyl)methyl]-5-oxo-N-propan-2-ylpyrrolidine-2-carboxamide
SMILESCC(C)NC(=O)C1CCC(=O)N1Cc1ccccc1Cl
InChIInChI=1S/C15H19ClN2O2/c1-10(2)17-15(20)13-7-8-14(19)18(13)9-11-5-3-4-6-12(11)16/h3-6,10,13H,7-9H2,1-2H3,(H,17,20)
InChIKeyLUVVPZUSXRWNEG-UHFFFAOYSA-N
XLogP2.36
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-[(4-chlorophenyl)methyl]-5-oxo-N-propan-2-ylpyrrolidine-2-carboxamide
CID 100815825
(2R)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid
CID 40516924
1-benzyl-N-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 110387587
ethyl 3-[[(2R)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-2-carbonyl]amino]-2-hydroxy-4-phenylbutanoate
CID 67095002
(2S)-1-[(2-chlorophenyl)methyl]-N-(2,4-dichlorophenyl)-5-oxopyrrolidine-2-carboxamide
CID 1477432
(2S)-1-[(2-chlorophenyl)methyl]-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-2-carboxamide
CID 92696544
1-benzyl-N-butan-2-yl-5-oxopyrrolidine-2-carboxamide
CID 110387564
(2R)-1-benzyl-5-oxo-N-[(1S)-1-phenylethyl]pyrrolidine-2-carboxamide
CID 7101898
(2S)-1-[(5-methylfuran-2-yl)methyl]-5-oxo-N-propan-2-ylpyrrolidine-2-carboxamide
CID 95739154
1-[(2-chlorophenyl)methyl]-5-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 139023933
(5S)-1-[(2-chlorophenyl)methyl]-5-[2-[di(propan-2-yl)amino]-1-hydroxyethyl]pyrrolidin-2-one
CID 139774854
(2S)-2-[[(2R)-1-benzyl-5-oxopyrrolidine-2-carbonyl]amino]-3-phenylpropanoic acid
CID 12043818

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-5-oxo-N-propan-2-ylpyrrolidine-2-carboxamide?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-5-oxo-N-propan-2-ylpyrrolidine-2-carboxamide (CID 4062433) is 1-[(2-chlorophenyl)methyl]-5-oxo-N-propan-2-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-5-oxo-N-propan-2-ylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-5-oxo-N-propan-2-ylpyrrolidine-2-carboxamide is CC(C)NC(=O)C1CCC(=O)N1Cc1ccccc1Cl.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-5-oxo-N-propan-2-ylpyrrolidine-2-carboxamide?
The InChIKey is LUVVPZUSXRWNEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2/c1-10(2)17-15(20)13-7-8-14(19)18(13)9-11-5-3-4-6-12(11)16/h3-6,10,13H,7-9H2,1-2H3,(H,17,20).
What are the key properties of 1-[(2-chlorophenyl)methyl]-5-oxo-N-propan-2-ylpyrrolidine-2-carboxamide?
1-[(2-chlorophenyl)methyl]-5-oxo-N-propan-2-ylpyrrolidine-2-carboxamide has a molecular weight of 294.78 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-5-oxo-N-propan-2-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 4062433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).