2-(4-chloroanilino)-N-(3,4-dichlorophenyl)pyrimidine-5-carboxamide

C17H11Cl3N4O — CID 109268910

IUPAC2-(4-chloroanilino)-N-(3,4-dichlorophenyl)pyrimidine-5-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)c1cnc(Nc2ccc(Cl)cc2)nc1
InChIInChI=1S/C17H11Cl3N4O/c18-11-1-3-12(4-2-11)24-17-21-8-10(9-22-17)16(25)23-13-5-6-14(19)15(20)7-13/h1-9H,(H,23,25)(H,21,22,24)
InChIKeyZZDCOFNMHKTKCV-UHFFFAOYSA-N
MW393.66 g/mol
LogP5.43
Rot. Bonds4

About 2-(4-chloroanilino)-N-(3,4-dichlorophenyl)pyrimidine-5-carboxamide

2-(4-chloroanilino)-N-(3,4-dichlorophenyl)pyrimidine-5-carboxamide (PubChem CID 109268910) has the molecular formula C17H11Cl3N4O and a molecular weight of 393.66 g/mol. Its IUPAC name is 2-(4-chloroanilino)-N-(3,4-dichlorophenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(4-chloroanilino)-N-(3,4-dichlorophenyl)pyrimidine-5-carboxamide
PubChem CID109268910
Molecular FormulaC17H11Cl3N4O
Molecular Weight393.66 g/mol
Exact Mass392.00
IUPAC Name2-(4-chloroanilino)-N-(3,4-dichlorophenyl)pyrimidine-5-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)c1cnc(Nc2ccc(Cl)cc2)nc1
InChIInChI=1S/C17H11Cl3N4O/c18-11-1-3-12(4-2-11)24-17-21-8-10(9-22-17)16(25)23-13-5-6-14(19)15(20)7-13/h1-9H,(H,23,25)(H,21,22,24)
InChIKeyZZDCOFNMHKTKCV-UHFFFAOYSA-N
XLogP5.43
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.66
LogP ≤ 55.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(4-chloroanilino)-N-(3,4-dichlorophenyl)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-(3,4-dichloroanilino)-N-(3,4-difluorophenyl)pyrimidine-5-carboxamide
CID 109270604
2-(4-chloroanilino)-N-(3,4-difluorophenyl)pyrimidine-5-carboxamide
CID 109268923
2-(4-acetamidoanilino)-N-(3-chloro-4-fluorophenyl)pyrimidine-5-carboxamide
CID 109269223
N-(3-chlorophenyl)-2-(3,4-dichloroanilino)pyrimidine-5-carboxamide
CID 109268746
2-(4-chloroanilino)-N-(3,5-dimethylphenyl)pyrimidine-5-carboxamide
CID 109266851
2-(4-chloroanilino)-N-(2,4-dichlorophenyl)pyrimidine-5-carboxamide
CID 109268911
2-(4-chloroanilino)-N-(3-fluorophenyl)pyrimidine-5-carboxamide
CID 109268903
2-(4-chloroanilino)-N-(3,4-dimethoxyphenyl)pyrimidine-5-carboxamide
CID 109268889
N-(3-chloro-4-methylphenyl)-2-(3,4-difluoroanilino)pyrimidine-5-carboxamide
CID 109269177
2-(3-chloro-4-fluoroanilino)-N-(3-chloro-4-methylphenyl)pyrimidine-5-carboxamide
CID 109269145
N-(3-chloro-4-fluorophenyl)-2-(3-chloro-4-methylanilino)pyrimidine-5-carboxamide
CID 109269179
N-(3-chloro-4-fluorophenyl)-2-(3,5-dimethylanilino)pyrimidine-5-carboxamide
CID 109266931

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloroanilino)-N-(3,4-dichlorophenyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(4-chloroanilino)-N-(3,4-dichlorophenyl)pyrimidine-5-carboxamide (CID 109268910) is 2-(4-chloroanilino)-N-(3,4-dichlorophenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(4-chloroanilino)-N-(3,4-dichlorophenyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(4-chloroanilino)-N-(3,4-dichlorophenyl)pyrimidine-5-carboxamide is O=C(Nc1ccc(Cl)c(Cl)c1)c1cnc(Nc2ccc(Cl)cc2)nc1.
What is the InChIKey of 2-(4-chloroanilino)-N-(3,4-dichlorophenyl)pyrimidine-5-carboxamide?
The InChIKey is ZZDCOFNMHKTKCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl3N4O/c18-11-1-3-12(4-2-11)24-17-21-8-10(9-22-17)16(25)23-13-5-6-14(19)15(20)7-13/h1-9H,(H,23,25)(H,21,22,24).
What are the key properties of 2-(4-chloroanilino)-N-(3,4-dichlorophenyl)pyrimidine-5-carboxamide?
2-(4-chloroanilino)-N-(3,4-dichlorophenyl)pyrimidine-5-carboxamide has a molecular weight of 393.66 g/mol, XLogP of 5.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloroanilino)-N-(3,4-dichlorophenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109268910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).