N-[4-chloro-3-(4-hydroxy-2-oxopyrrolidin-1-yl)phenyl]acetamide

C12H13ClN2O3 — CID 168701911

IUPACN-[4-chloro-3-(4-hydroxy-2-oxopyrrolidin-1-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(Cl)c(N2CC(O)CC2=O)c1
InChIInChI=1S/C12H13ClN2O3/c1-7(16)14-8-2-3-10(13)11(4-8)15-6-9(17)5-12(15)18/h2-4,9,17H,5-6H2,1H3,(H,14,16)
InChIKeyUOAWISZTMZZEFZ-UHFFFAOYSA-N
MW268.70 g/mol
LogP1.40
Rot. Bonds2

About N-[4-chloro-3-(4-hydroxy-2-oxopyrrolidin-1-yl)phenyl]acetamide

N-[4-chloro-3-(4-hydroxy-2-oxopyrrolidin-1-yl)phenyl]acetamide (PubChem CID 168701911) has the molecular formula C12H13ClN2O3 and a molecular weight of 268.70 g/mol. Its IUPAC name is N-[4-chloro-3-(4-hydroxy-2-oxopyrrolidin-1-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-chloro-3-(4-hydroxy-2-oxopyrrolidin-1-yl)phenyl]acetamide
PubChem CID168701911
Molecular FormulaC12H13ClN2O3
Molecular Weight268.70 g/mol
Exact Mass268.06
IUPAC NameN-[4-chloro-3-(4-hydroxy-2-oxopyrrolidin-1-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(Cl)c(N2CC(O)CC2=O)c1
InChIInChI=1S/C12H13ClN2O3/c1-7(16)14-8-2-3-10(13)11(4-8)15-6-9(17)5-12(15)18/h2-4,9,17H,5-6H2,1H3,(H,14,16)
InChIKeyUOAWISZTMZZEFZ-UHFFFAOYSA-N
XLogP1.40
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.70
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-chloro-3-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]phenyl]acetamide
CID 168507032
N-[4-chloro-3-(4-ethenyl-2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 168684027
N-[3-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-4-chlorophenyl]acetamide
CID 168655979
(3R)-N-(4-acetamidophenyl)-1-(2,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 9004647
N-(4-acetamidophenyl)-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 2951564
N-[4-chloro-3-[5-[(2,4-difluorophenyl)methyl]-2-oxopiperidin-1-yl]phenyl]acetamide
CID 23022193
1-(5-acetyl-2-chlorophenyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168662051
1-(5-acetyl-2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168696136
1-(4-chloro-3-hydroxyphenyl)-4-hydroxypyrrolidin-2-one
CID 168703378
(3R)-N-(3,4-dichlorophenyl)-1-(2,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9056162
1-(3-chloro-2-hydroxyphenyl)-4-hydroxypyrrolidin-2-one
CID 168703922
(3R)-1-(2,5-dichlorophenyl)-N-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9004637

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(4-hydroxy-2-oxopyrrolidin-1-yl)phenyl]acetamide?
The IUPAC name of N-[4-chloro-3-(4-hydroxy-2-oxopyrrolidin-1-yl)phenyl]acetamide (CID 168701911) is N-[4-chloro-3-(4-hydroxy-2-oxopyrrolidin-1-yl)phenyl]acetamide.
What is the SMILES notation for N-[4-chloro-3-(4-hydroxy-2-oxopyrrolidin-1-yl)phenyl]acetamide?
The canonical SMILES for N-[4-chloro-3-(4-hydroxy-2-oxopyrrolidin-1-yl)phenyl]acetamide is CC(=O)Nc1ccc(Cl)c(N2CC(O)CC2=O)c1.
What is the InChIKey of N-[4-chloro-3-(4-hydroxy-2-oxopyrrolidin-1-yl)phenyl]acetamide?
The InChIKey is UOAWISZTMZZEFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O3/c1-7(16)14-8-2-3-10(13)11(4-8)15-6-9(17)5-12(15)18/h2-4,9,17H,5-6H2,1H3,(H,14,16).
What are the key properties of N-[4-chloro-3-(4-hydroxy-2-oxopyrrolidin-1-yl)phenyl]acetamide?
N-[4-chloro-3-(4-hydroxy-2-oxopyrrolidin-1-yl)phenyl]acetamide has a molecular weight of 268.70 g/mol, XLogP of 1.40, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(4-hydroxy-2-oxopyrrolidin-1-yl)phenyl]acetamide is sourced from PubChem (CID 168701911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).