N-(3-chloro-4-hydroxyphenyl)-5-oxopyrrolidine-2-carboxamide

C11H11ClN2O3 — CID 64787520

IUPACN-(3-chloro-4-hydroxyphenyl)-5-oxopyrrolidine-2-carboxamide
SMILESO=C1CCC(C(=O)Nc2ccc(O)c(Cl)c2)N1
InChIInChI=1S/C11H11ClN2O3/c12-7-5-6(1-3-9(7)15)13-11(17)8-2-4-10(16)14-8/h1,3,5,8,15H,2,4H2,(H,13,17)(H,14,16)
InChIKeyLYVMXPXVBRZIBY-UHFFFAOYSA-N
MW254.67 g/mol
LogP1.26
Rot. Bonds2

About N-(3-chloro-4-hydroxyphenyl)-5-oxopyrrolidine-2-carboxamide

N-(3-chloro-4-hydroxyphenyl)-5-oxopyrrolidine-2-carboxamide (PubChem CID 64787520) has the molecular formula C11H11ClN2O3 and a molecular weight of 254.67 g/mol. Its IUPAC name is N-(3-chloro-4-hydroxyphenyl)-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-hydroxyphenyl)-5-oxopyrrolidine-2-carboxamide
PubChem CID64787520
Molecular FormulaC11H11ClN2O3
Molecular Weight254.67 g/mol
Exact Mass254.05
IUPAC NameN-(3-chloro-4-hydroxyphenyl)-5-oxopyrrolidine-2-carboxamide
SMILESO=C1CCC(C(=O)Nc2ccc(O)c(Cl)c2)N1
InChIInChI=1S/C11H11ClN2O3/c12-7-5-6(1-3-9(7)15)13-11(17)8-2-4-10(16)14-8/h1,3,5,8,15H,2,4H2,(H,13,17)(H,14,16)
InChIKeyLYVMXPXVBRZIBY-UHFFFAOYSA-N
XLogP1.26
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.67
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromo-3-chlorophenyl)-5-oxopyrrolidine-2-carboxamide
CID 103824877
(2R)-N-(4-bromo-3-chlorophenyl)-5-oxopyrrolidine-2-carboxamide
CID 103824880
(2S)-N-(3-bromo-4-chlorophenyl)-5-oxopyrrolidine-2-carboxamide
CID 675422
(2S)-N-(3,5-dichlorophenyl)-5-oxopyrrolidine-2-carboxamide
CID 26469933
N-(3,4-difluorophenyl)-5-oxopyrrolidine-2-carboxamide
CID 110689759
N-(3-aminophenyl)-5-oxopyrrolidine-2-carboxamide
CID 110482254
(2S)-5-oxo-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrrolidine-2-carboxamide
CID 103806993
N-(4-methoxy-3-methylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 110792509
(2R)-5-oxo-N-(2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl)pyrrolidine-2-carboxamide
CID 99637421
N-(1H-indol-5-yl)-5-oxopyrrolidine-2-carboxamide
CID 110744978
(2R)-N-(3,5-dichloro-2-hydroxyphenyl)-5-oxopyrrolidine-2-carboxamide
CID 103891199
(2R)-N-(3,5-dichloro-4-fluorophenyl)-6-oxopiperidine-2-carboxamide
CID 146122047

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-hydroxyphenyl)-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-(3-chloro-4-hydroxyphenyl)-5-oxopyrrolidine-2-carboxamide (CID 64787520) is N-(3-chloro-4-hydroxyphenyl)-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-(3-chloro-4-hydroxyphenyl)-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-(3-chloro-4-hydroxyphenyl)-5-oxopyrrolidine-2-carboxamide is O=C1CCC(C(=O)Nc2ccc(O)c(Cl)c2)N1.
What is the InChIKey of N-(3-chloro-4-hydroxyphenyl)-5-oxopyrrolidine-2-carboxamide?
The InChIKey is LYVMXPXVBRZIBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O3/c12-7-5-6(1-3-9(7)15)13-11(17)8-2-4-10(16)14-8/h1,3,5,8,15H,2,4H2,(H,13,17)(H,14,16).
What are the key properties of N-(3-chloro-4-hydroxyphenyl)-5-oxopyrrolidine-2-carboxamide?
N-(3-chloro-4-hydroxyphenyl)-5-oxopyrrolidine-2-carboxamide has a molecular weight of 254.67 g/mol, XLogP of 1.26, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-hydroxyphenyl)-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 64787520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).