1-(4-acetamido-3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide

C13H14ClN3O3 — CID 168696123

IUPAC1-(4-acetamido-3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(=O)Nc1ccc(N2CC(C(N)=O)CC2=O)cc1Cl
InChIInChI=1S/C13H14ClN3O3/c1-7(18)16-11-3-2-9(5-10(11)14)17-6-8(13(15)20)4-12(17)19/h2-3,5,8H,4,6H2,1H3,(H2,15,20)(H,16,18)
InChIKeyVXMHVLYMSJDLLF-UHFFFAOYSA-N
MW295.73 g/mol
LogP1.14
Rot. Bonds3

About 1-(4-acetamido-3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide

1-(4-acetamido-3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 168696123) has the molecular formula C13H14ClN3O3 and a molecular weight of 295.73 g/mol. Its IUPAC name is 1-(4-acetamido-3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-acetamido-3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID168696123
Molecular FormulaC13H14ClN3O3
Molecular Weight295.73 g/mol
Exact Mass295.07
IUPAC Name1-(4-acetamido-3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(=O)Nc1ccc(N2CC(C(N)=O)CC2=O)cc1Cl
InChIInChI=1S/C13H14ClN3O3/c1-7(18)16-11-3-2-9(5-10(11)14)17-6-8(13(15)20)4-12(17)19/h2-3,5,8H,4,6H2,1H3,(H2,15,20)(H,16,18)
InChIKeyVXMHVLYMSJDLLF-UHFFFAOYSA-N
XLogP1.14
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.73
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-acetamido-3-chlorophenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168690528
1-(4-acetamido-3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 168696117
N-[4-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]-2-chlorophenyl]acetamide
CID 168503717
1-(4-bromo-3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168697775
1-[4-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-5-oxopyrrolidine-3-carboxamide
CID 50896096
(3R)-1-(3-chloro-4-piperidin-1-ylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 94077492
1-(4-amino-3,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168697901
1-(4-aminophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168697847
N-[4-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-2-chlorophenyl]acetamide
CID 168655984
1-(3,5-dichloro-4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168697899
N-(2-chloro-4-methylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 4779713
(3S)-1-[3-[(4R)-4-carbamoyl-2-oxopyrrolidin-1-yl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 94076238

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetamido-3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-acetamido-3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide (CID 168696123) is 1-(4-acetamido-3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-acetamido-3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-acetamido-3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide is CC(=O)Nc1ccc(N2CC(C(N)=O)CC2=O)cc1Cl.
What is the InChIKey of 1-(4-acetamido-3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is VXMHVLYMSJDLLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O3/c1-7(18)16-11-3-2-9(5-10(11)14)17-6-8(13(15)20)4-12(17)19/h2-3,5,8H,4,6H2,1H3,(H2,15,20)(H,16,18).
What are the key properties of 1-(4-acetamido-3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide?
1-(4-acetamido-3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 295.73 g/mol, XLogP of 1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetamido-3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 168696123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).