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

C17H14Cl2N2O2 — CID 46062412

IUPACN-(2-chlorophenyl)-1-(3-chlorophenyl)-2-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1ccccc1Cl)C1CCN(c2cccc(Cl)c2)C1=O
InChIInChI=1S/C17H14Cl2N2O2/c18-11-4-3-5-12(10-11)21-9-8-13(17(21)23)16(22)20-15-7-2-1-6-14(15)19/h1-7,10,13H,8-9H2,(H,20,22)
InChIKeyPZORMBAPCXXXIH-UHFFFAOYSA-N
MW349.22 g/mol
LogP3.98
Rot. Bonds3

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

N-(2-chlorophenyl)-1-(3-chlorophenyl)-2-oxopyrrolidine-3-carboxamide (PubChem CID 46062412) has the molecular formula C17H14Cl2N2O2 and a molecular weight of 349.22 g/mol. Its IUPAC name is N-(2-chlorophenyl)-1-(3-chlorophenyl)-2-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-1-(3-chlorophenyl)-2-oxopyrrolidine-3-carboxamide
PubChem CID46062412
Molecular FormulaC17H14Cl2N2O2
Molecular Weight349.22 g/mol
Exact Mass348.04
IUPAC NameN-(2-chlorophenyl)-1-(3-chlorophenyl)-2-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1ccccc1Cl)C1CCN(c2cccc(Cl)c2)C1=O
InChIInChI=1S/C17H14Cl2N2O2/c18-11-4-3-5-12(10-11)21-9-8-13(17(21)23)16(22)20-15-7-2-1-6-14(15)19/h1-7,10,13H,8-9H2,(H,20,22)
InChIKeyPZORMBAPCXXXIH-UHFFFAOYSA-N
XLogP3.98
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.22
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-chlorophenyl)-N-[2-(ethylaminomethyl)phenyl]-2-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119439813
1-(3-chlorophenyl)-2-oxopyrrolidine-3-carboxylic acid
CID 4122939
1-(3-chlorophenyl)-N-(4-hydroxycyclohexyl)-2-oxopyrrolidine-3-carboxamide
CID 111462855
3-[[(3R)-1-(3-chlorophenyl)-2-oxopyrrolidine-3-carbonyl]amino]propanoic acid
CID 125151475
N-(2-aminoethyl)-1-(3-chlorophenyl)-2-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119383815
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
N-(2-ethylphenyl)-2-oxo-1-phenylpyrrolidine-3-carboxamide
CID 20964176
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
N-(2-aminophenyl)-2-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 119422849
1-(3-chlorophenyl)-N-[(3-methylfuran-2-yl)methyl]-2-oxopyrrolidine-3-carboxamide
CID 136545228

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-1-(3-chlorophenyl)-2-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-1-(3-chlorophenyl)-2-oxopyrrolidine-3-carboxamide (CID 46062412) is N-(2-chlorophenyl)-1-(3-chlorophenyl)-2-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-1-(3-chlorophenyl)-2-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-1-(3-chlorophenyl)-2-oxopyrrolidine-3-carboxamide is O=C(Nc1ccccc1Cl)C1CCN(c2cccc(Cl)c2)C1=O.
What is the InChIKey of N-(2-chlorophenyl)-1-(3-chlorophenyl)-2-oxopyrrolidine-3-carboxamide?
The InChIKey is PZORMBAPCXXXIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N2O2/c18-11-4-3-5-12(10-11)21-9-8-13(17(21)23)16(22)20-15-7-2-1-6-14(15)19/h1-7,10,13H,8-9H2,(H,20,22).
What are the key properties of N-(2-chlorophenyl)-1-(3-chlorophenyl)-2-oxopyrrolidine-3-carboxamide?
N-(2-chlorophenyl)-1-(3-chlorophenyl)-2-oxopyrrolidine-3-carboxamide has a molecular weight of 349.22 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-1-(3-chlorophenyl)-2-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 46062412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).