1-(3-chlorophenyl)-N-(4-hydroxycyclohexyl)-2-oxopyrrolidine-3-carboxamide

C17H21ClN2O3 — CID 111462855

IUPAC1-(3-chlorophenyl)-N-(4-hydroxycyclohexyl)-2-oxopyrrolidine-3-carboxamide
SMILESO=C(NC1CCC(O)CC1)C1CCN(c2cccc(Cl)c2)C1=O
InChIInChI=1S/C17H21ClN2O3/c18-11-2-1-3-13(10-11)20-9-8-15(17(20)23)16(22)19-12-4-6-14(21)7-5-12/h1-3,10,12,14-15,21H,4-9H2,(H,19,22)
InChIKeyBVZTXDOLMADXJZ-UHFFFAOYSA-N
MW336.82 g/mol
LogP2.11
Rot. Bonds3

About 1-(3-chlorophenyl)-N-(4-hydroxycyclohexyl)-2-oxopyrrolidine-3-carboxamide

1-(3-chlorophenyl)-N-(4-hydroxycyclohexyl)-2-oxopyrrolidine-3-carboxamide (PubChem CID 111462855) has the molecular formula C17H21ClN2O3 and a molecular weight of 336.82 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-(4-hydroxycyclohexyl)-2-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-(4-hydroxycyclohexyl)-2-oxopyrrolidine-3-carboxamide
PubChem CID111462855
Molecular FormulaC17H21ClN2O3
Molecular Weight336.82 g/mol
Exact Mass336.12
IUPAC Name1-(3-chlorophenyl)-N-(4-hydroxycyclohexyl)-2-oxopyrrolidine-3-carboxamide
SMILESO=C(NC1CCC(O)CC1)C1CCN(c2cccc(Cl)c2)C1=O
InChIInChI=1S/C17H21ClN2O3/c18-11-2-1-3-13(10-11)20-9-8-15(17(20)23)16(22)19-12-4-6-14(21)7-5-12/h1-3,10,12,14-15,21H,4-9H2,(H,19,22)
InChIKeyBVZTXDOLMADXJZ-UHFFFAOYSA-N
XLogP2.11
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.82
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-(3-chlorophenyl)-2-oxopyrrolidine-3-carboxylic acid
CID 4122939
(3S)-1-(4-chlorophenyl)-N-cyclooctyl-2-oxopyrrolidine-3-carboxamide
CID 94079940
N-(2-chlorophenyl)-1-(3-chlorophenyl)-2-oxopyrrolidine-3-carboxamide
CID 46062412
N-(2-aminoethyl)-1-(3-chlorophenyl)-2-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119383815
3-[[(3R)-1-(3-chlorophenyl)-2-oxopyrrolidine-3-carbonyl]amino]propanoic acid
CID 125151475
1-(3,4-dichlorophenyl)-2-oxo-N-piperidin-4-ylpyrrolidine-3-carboxamide
CID 119386103
(3S)-N-(1-benzylpiperidin-4-yl)-1-(4-chlorophenyl)-2-oxopyrrolidine-3-carboxamide
CID 93059092
N-(2-amino-1-cyclopropylethyl)-1-(3-chlorophenyl)-2-oxopyrrolidine-3-carboxamide
CID 119615310
2-[3-[[1-(3-chlorophenyl)-2-oxopyrrolidine-3-carbonyl]amino]-2-oxopyrrolidin-1-yl]-3-methylbutanoic acid
CID 167982774
4-[[1-(3,4-dimethylphenyl)-2-oxopyrrolidine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 119229691
N-(3-aminobutyl)-1-(3-chlorophenyl)-2-oxopyrrolidine-3-carboxamide
CID 119497270
1-(3-chlorophenyl)-N-[3-(ethylaminomethyl)phenyl]-2-oxopyrrolidine-3-carboxamide
CID 119438316

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-(4-hydroxycyclohexyl)-2-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-N-(4-hydroxycyclohexyl)-2-oxopyrrolidine-3-carboxamide (CID 111462855) is 1-(3-chlorophenyl)-N-(4-hydroxycyclohexyl)-2-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-(4-hydroxycyclohexyl)-2-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-(4-hydroxycyclohexyl)-2-oxopyrrolidine-3-carboxamide is O=C(NC1CCC(O)CC1)C1CCN(c2cccc(Cl)c2)C1=O.
What is the InChIKey of 1-(3-chlorophenyl)-N-(4-hydroxycyclohexyl)-2-oxopyrrolidine-3-carboxamide?
The InChIKey is BVZTXDOLMADXJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O3/c18-11-2-1-3-13(10-11)20-9-8-15(17(20)23)16(22)19-12-4-6-14(21)7-5-12/h1-3,10,12,14-15,21H,4-9H2,(H,19,22).
What are the key properties of 1-(3-chlorophenyl)-N-(4-hydroxycyclohexyl)-2-oxopyrrolidine-3-carboxamide?
1-(3-chlorophenyl)-N-(4-hydroxycyclohexyl)-2-oxopyrrolidine-3-carboxamide has a molecular weight of 336.82 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-(4-hydroxycyclohexyl)-2-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 111462855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).