2-(4-chlorophenyl)-N-(2,3-dichlorophenyl)-6-oxo-1H-pyrimidine-5-carboxamide

C17H10Cl3N3O2 — CID 108786151

IUPAC2-(4-chlorophenyl)-N-(2,3-dichlorophenyl)-6-oxo-1H-pyrimidine-5-carboxamide
SMILESO=C(Nc1cccc(Cl)c1Cl)c1cnc(-c2ccc(Cl)cc2)[nH]c1=O
InChIInChI=1S/C17H10Cl3N3O2/c18-10-6-4-9(5-7-10)15-21-8-11(17(25)23-15)16(24)22-13-3-1-2-12(19)14(13)20/h1-8H,(H,22,24)(H,21,23,25)
InChIKeyZUDDPNNFAYDIRM-UHFFFAOYSA-N
MW394.65 g/mol
LogP4.65
Rot. Bonds3

About 2-(4-chlorophenyl)-N-(2,3-dichlorophenyl)-6-oxo-1H-pyrimidine-5-carboxamide

2-(4-chlorophenyl)-N-(2,3-dichlorophenyl)-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 108786151) has the molecular formula C17H10Cl3N3O2 and a molecular weight of 394.65 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-(2,3-dichlorophenyl)-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-(2,3-dichlorophenyl)-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID108786151
Molecular FormulaC17H10Cl3N3O2
Molecular Weight394.65 g/mol
Exact Mass392.98
IUPAC Name2-(4-chlorophenyl)-N-(2,3-dichlorophenyl)-6-oxo-1H-pyrimidine-5-carboxamide
SMILESO=C(Nc1cccc(Cl)c1Cl)c1cnc(-c2ccc(Cl)cc2)[nH]c1=O
InChIInChI=1S/C17H10Cl3N3O2/c18-10-6-4-9(5-7-10)15-21-8-11(17(25)23-15)16(24)22-13-3-1-2-12(19)14(13)20/h1-8H,(H,22,24)(H,21,23,25)
InChIKeyZUDDPNNFAYDIRM-UHFFFAOYSA-N
XLogP4.65
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.65
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(4-chlorophenyl)-N-(2,3-dichlorophenyl)-6-oxo-1H-pyrimidine-5-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

2-(4-chlorophenyl)-6-oxo-N-(2,3,4-trifluorophenyl)-1H-pyrimidine-5-carboxamide
CID 108799261
4-[[2-(4-chlorophenyl)-6-oxo-1H-pyrimidine-5-carbonyl]amino]-3-hydroxybenzoic acid
CID 108799385
N-(4-bromo-2-methylphenyl)-2-(4-chlorophenyl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 108799250
2-(4-chlorophenyl)-N-(5-methyl-1,3-thiazol-2-yl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 108799405
N-(2-chloro-4,6-dimethylphenyl)-2-(4-chlorophenyl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 108786335
N-(2-ethylphenyl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide
CID 92648612
2-(4-chlorophenyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 108786231
2-(4-chlorophenyl)-N-(2-methoxy-4-nitrophenyl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 108786212
2-(4-chlorophenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 108799350
2-(4-chlorophenyl)-N-(3-cyano-4,5-diphenylfuran-2-yl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 108799328
2-(4-chlorophenyl)-6-oxo-N-(pyridin-3-ylmethyl)-1H-pyrimidine-5-carboxamide
CID 108786175
N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-2-(4-chlorophenyl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 108799334

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-(2,3-dichlorophenyl)-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-N-(2,3-dichlorophenyl)-6-oxo-1H-pyrimidine-5-carboxamide (CID 108786151) is 2-(4-chlorophenyl)-N-(2,3-dichlorophenyl)-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-(2,3-dichlorophenyl)-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-(2,3-dichlorophenyl)-6-oxo-1H-pyrimidine-5-carboxamide is O=C(Nc1cccc(Cl)c1Cl)c1cnc(-c2ccc(Cl)cc2)[nH]c1=O.
What is the InChIKey of 2-(4-chlorophenyl)-N-(2,3-dichlorophenyl)-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is ZUDDPNNFAYDIRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10Cl3N3O2/c18-10-6-4-9(5-7-10)15-21-8-11(17(25)23-15)16(24)22-13-3-1-2-12(19)14(13)20/h1-8H,(H,22,24)(H,21,23,25).
What are the key properties of 2-(4-chlorophenyl)-N-(2,3-dichlorophenyl)-6-oxo-1H-pyrimidine-5-carboxamide?
2-(4-chlorophenyl)-N-(2,3-dichlorophenyl)-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 394.65 g/mol, XLogP of 4.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-(2,3-dichlorophenyl)-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 108786151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).