1-[(2-chlorophenyl)methyl]-N-(4-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide

C18H17ClN2O3 — CID 42651418

IUPAC1-[(2-chlorophenyl)methyl]-N-(4-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc(O)cc1)C1CC(=O)N(Cc2ccccc2Cl)C1
InChIInChI=1S/C18H17ClN2O3/c19-16-4-2-1-3-12(16)10-21-11-13(9-17(21)23)18(24)20-14-5-7-15(22)8-6-14/h1-8,13,22H,9-11H2,(H,20,24)
InChIKeyHNHWDCGBNIIBKC-UHFFFAOYSA-N
MW344.80 g/mol
LogP3.03
Rot. Bonds4

About 1-[(2-chlorophenyl)methyl]-N-(4-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide

1-[(2-chlorophenyl)methyl]-N-(4-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 42651418) has the molecular formula C18H17ClN2O3 and a molecular weight of 344.80 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-N-(4-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-N-(4-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID42651418
Molecular FormulaC18H17ClN2O3
Molecular Weight344.80 g/mol
Exact Mass344.09
IUPAC Name1-[(2-chlorophenyl)methyl]-N-(4-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc(O)cc1)C1CC(=O)N(Cc2ccccc2Cl)C1
InChIInChI=1S/C18H17ClN2O3/c19-16-4-2-1-3-12(16)10-21-11-13(9-17(21)23)18(24)20-14-5-7-15(22)8-6-14/h1-8,13,22H,9-11H2,(H,20,24)
InChIKeyHNHWDCGBNIIBKC-UHFFFAOYSA-N
XLogP3.03
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[(2-chlorophenyl)methyl]-N-(4-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-acetamidophenyl)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 78756753
(3R)-N-(4-acetamidophenyl)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 8701516
(3S)-N-(4-acetylphenyl)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 8712834
(3S)-1-[(2-chlorophenyl)methyl]-N-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8745664
1-[(2-chlorophenyl)methyl]-N-(3,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 113183678
(3R)-1-[(2-chlorophenyl)methyl]-N-(1-methylpyrazol-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 52899170
(3R)-N-(4-chloro-2-fluorophenyl)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 9097492
(3R)-1-[(2-chlorophenyl)methyl]-N-(2-ethyl-6-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8761573
(3R)-1-(furan-2-ylmethyl)-N-(4-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 39314628
N-(4-bromophenyl)-1-[(2-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113183219
(3S)-N-(5-chloro-2-methylphenyl)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 8502335
1-[(2-chlorophenyl)methyl]-N-(6-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 42651590

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-N-(4-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-N-(4-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide (CID 42651418) is 1-[(2-chlorophenyl)methyl]-N-(4-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-N-(4-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-N-(4-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide is O=C(Nc1ccc(O)cc1)C1CC(=O)N(Cc2ccccc2Cl)C1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-N-(4-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is HNHWDCGBNIIBKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O3/c19-16-4-2-1-3-12(16)10-21-11-13(9-17(21)23)18(24)20-14-5-7-15(22)8-6-14/h1-8,13,22H,9-11H2,(H,20,24).
What are the key properties of 1-[(2-chlorophenyl)methyl]-N-(4-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide?
1-[(2-chlorophenyl)methyl]-N-(4-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 344.80 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-N-(4-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 42651418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).