[1-[(3-chlorophenyl)-(3-hydroxyphenyl)methyl]-2-oxopyrrolidin-3-yl]carbamic acid

C18H17ClN2O4 — CID 18433521

IUPAC[1-[(3-chlorophenyl)-(3-hydroxyphenyl)methyl]-2-oxopyrrolidin-3-yl]carbamic acid
SMILESO=C(O)NC1CCN(C(c2cccc(O)c2)c2cccc(Cl)c2)C1=O
InChIInChI=1S/C18H17ClN2O4/c19-13-5-1-3-11(9-13)16(12-4-2-6-14(22)10-12)21-8-7-15(17(21)23)20-18(24)25/h1-6,9-10,15-16,20,22H,7-8H2,(H,24,25)
InChIKeyPGMBDYZESJSLIP-UHFFFAOYSA-N
MW360.80 g/mol
LogP3.00
Rot. Bonds4

About [1-[(3-chlorophenyl)-(3-hydroxyphenyl)methyl]-2-oxopyrrolidin-3-yl]carbamic acid

[1-[(3-chlorophenyl)-(3-hydroxyphenyl)methyl]-2-oxopyrrolidin-3-yl]carbamic acid (PubChem CID 18433521) has the molecular formula C18H17ClN2O4 and a molecular weight of 360.80 g/mol. Its IUPAC name is [1-[(3-chlorophenyl)-(3-hydroxyphenyl)methyl]-2-oxopyrrolidin-3-yl]carbamic acid.

Molecular Properties

Compound Name[1-[(3-chlorophenyl)-(3-hydroxyphenyl)methyl]-2-oxopyrrolidin-3-yl]carbamic acid
PubChem CID18433521
Molecular FormulaC18H17ClN2O4
Molecular Weight360.80 g/mol
Exact Mass360.09
IUPAC Name[1-[(3-chlorophenyl)-(3-hydroxyphenyl)methyl]-2-oxopyrrolidin-3-yl]carbamic acid
SMILESO=C(O)NC1CCN(C(c2cccc(O)c2)c2cccc(Cl)c2)C1=O
InChIInChI=1S/C18H17ClN2O4/c19-13-5-1-3-11(9-13)16(12-4-2-6-14(22)10-12)21-8-7-15(17(21)23)20-18(24)25/h1-6,9-10,15-16,20,22H,7-8H2,(H,24,25)
InChIKeyPGMBDYZESJSLIP-UHFFFAOYSA-N
XLogP3.00
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.80
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze [1-[(3-chlorophenyl)-(3-hydroxyphenyl)methyl]-2-oxopyrrolidin-3-yl]carbamic acid 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

(3S)-3-amino-1-[(3-hydroxyphenyl)-phenylmethyl]pyrrolidin-2-one
CID 59905959
2-[3-[[1-(3-chlorophenyl)cyclopentanecarbonyl]amino]-2-oxopyrrolidin-1-yl]-2-phenylacetic acid
CID 166220482
3-[1-(3-hydroxyphenyl)ethylamino]-1-methylpyrrolidin-2-one
CID 113350639
1-(2-chloro-6-methylphenyl)-3-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)urea
CID 86795644
1-[bis(3-chlorophenyl)methyl]pyrrolidine-2-carboxylic acid
CID 4650052
(3S)-1-benzhydryl-3-[(2-oxo-3,3-diphenylpropyl)amino]pyrrolidin-2-one
CID 11719836
1-[(3-chlorophenyl)-(3-methylphenyl)methyl]piperidine-4-carboxylic acid
CID 4254480
2-[3-[[1-(3-chlorophenyl)-2-oxopyrrolidine-3-carbonyl]amino]-2-oxopyrrolidin-1-yl]-3-methylbutanoic acid
CID 167982774
(3S)-1-benzhydryl-2-oxopyrrolidine-3-carboxylic acid
CID 125116655
1-[(3-chlorophenyl)-thiophen-2-ylmethyl]piperidine-3-carboxylic acid
CID 3977466
2-[[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]carbamoyl]cyclopropane-1-carboxylic acid
CID 120551475
1-[1-(3-chlorophenyl)ethyl]azetidine-3-carboxylic acid
CID 65071836

Frequently Asked Questions

What is the IUPAC name of [1-[(3-chlorophenyl)-(3-hydroxyphenyl)methyl]-2-oxopyrrolidin-3-yl]carbamic acid?
The IUPAC name of [1-[(3-chlorophenyl)-(3-hydroxyphenyl)methyl]-2-oxopyrrolidin-3-yl]carbamic acid (CID 18433521) is [1-[(3-chlorophenyl)-(3-hydroxyphenyl)methyl]-2-oxopyrrolidin-3-yl]carbamic acid.
What is the SMILES notation for [1-[(3-chlorophenyl)-(3-hydroxyphenyl)methyl]-2-oxopyrrolidin-3-yl]carbamic acid?
The canonical SMILES for [1-[(3-chlorophenyl)-(3-hydroxyphenyl)methyl]-2-oxopyrrolidin-3-yl]carbamic acid is O=C(O)NC1CCN(C(c2cccc(O)c2)c2cccc(Cl)c2)C1=O.
What is the InChIKey of [1-[(3-chlorophenyl)-(3-hydroxyphenyl)methyl]-2-oxopyrrolidin-3-yl]carbamic acid?
The InChIKey is PGMBDYZESJSLIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O4/c19-13-5-1-3-11(9-13)16(12-4-2-6-14(22)10-12)21-8-7-15(17(21)23)20-18(24)25/h1-6,9-10,15-16,20,22H,7-8H2,(H,24,25).
What are the key properties of [1-[(3-chlorophenyl)-(3-hydroxyphenyl)methyl]-2-oxopyrrolidin-3-yl]carbamic acid?
[1-[(3-chlorophenyl)-(3-hydroxyphenyl)methyl]-2-oxopyrrolidin-3-yl]carbamic acid has a molecular weight of 360.80 g/mol, XLogP of 3.00, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-chlorophenyl)-(3-hydroxyphenyl)methyl]-2-oxopyrrolidin-3-yl]carbamic acid is sourced from PubChem (CID 18433521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).