2-(5-chloro-2-methylanilino)-N-(3-chlorophenyl)pyrimidine-5-carboxamide

C18H14Cl2N4O — CID 109268708

IUPAC2-(5-chloro-2-methylanilino)-N-(3-chlorophenyl)pyrimidine-5-carboxamide
SMILESCc1ccc(Cl)cc1Nc1ncc(C(=O)Nc2cccc(Cl)c2)cn1
InChIInChI=1S/C18H14Cl2N4O/c1-11-5-6-14(20)8-16(11)24-18-21-9-12(10-22-18)17(25)23-15-4-2-3-13(19)7-15/h2-10H,1H3,(H,23,25)(H,21,22,24)
InChIKeyJTQGTXNNIOUMJK-UHFFFAOYSA-N
MW373.24 g/mol
LogP5.09
Rot. Bonds4

About 2-(5-chloro-2-methylanilino)-N-(3-chlorophenyl)pyrimidine-5-carboxamide

2-(5-chloro-2-methylanilino)-N-(3-chlorophenyl)pyrimidine-5-carboxamide (PubChem CID 109268708) has the molecular formula C18H14Cl2N4O and a molecular weight of 373.24 g/mol. Its IUPAC name is 2-(5-chloro-2-methylanilino)-N-(3-chlorophenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(5-chloro-2-methylanilino)-N-(3-chlorophenyl)pyrimidine-5-carboxamide
PubChem CID109268708
Molecular FormulaC18H14Cl2N4O
Molecular Weight373.24 g/mol
Exact Mass372.05
IUPAC Name2-(5-chloro-2-methylanilino)-N-(3-chlorophenyl)pyrimidine-5-carboxamide
SMILESCc1ccc(Cl)cc1Nc1ncc(C(=O)Nc2cccc(Cl)c2)cn1
InChIInChI=1S/C18H14Cl2N4O/c1-11-5-6-14(20)8-16(11)24-18-21-9-12(10-22-18)17(25)23-15-4-2-3-13(19)7-15/h2-10H,1H3,(H,23,25)(H,21,22,24)
InChIKeyJTQGTXNNIOUMJK-UHFFFAOYSA-N
XLogP5.09
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.24
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(5-chloro-2-methylanilino)-N-(3-chlorophenyl)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

N-(3-chlorophenyl)-2-(2,4-dimethylanilino)pyrimidine-5-carboxamide
CID 109266466
2-(3-chloroanilino)-N-(3-chlorophenyl)pyrimidine-5-carboxamide
CID 109268705
N-(3-chlorophenyl)-2-(2,6-dichloroanilino)pyrimidine-5-carboxamide
CID 109268750
2-(3-acetamidoanilino)-N-(3-chlorophenyl)pyrimidine-5-carboxamide
CID 109268731
2-(3-chloroanilino)-N-(4-chlorophenyl)pyrimidine-5-carboxamide
CID 109268761
2-(5-chloro-2-methylanilino)-N-(4-ethoxyphenyl)pyrimidine-5-carboxamide
CID 109269044
2-(2-chloroanilino)-N-(5-chloro-2-methylphenyl)pyrimidine-5-carboxamide
CID 109268652
N-(3-acetylphenyl)-2-(3-chloroanilino)pyrimidine-5-carboxamide
CID 109268784
2-(3-chloroanilino)-N-(2,6-dimethylphenyl)pyrimidine-5-carboxamide
CID 109267000
N-(3-chlorophenyl)-2-(2-methoxyanilino)pyrimidine-5-carboxamide
CID 109268715
N-(3-chlorophenyl)-2-(2-propan-2-ylanilino)pyrimidine-5-carboxamide
CID 109267863
2-(3-chloroanilino)-N-(3,4-difluorophenyl)pyrimidine-5-carboxamide
CID 109268814

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methylanilino)-N-(3-chlorophenyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(5-chloro-2-methylanilino)-N-(3-chlorophenyl)pyrimidine-5-carboxamide (CID 109268708) is 2-(5-chloro-2-methylanilino)-N-(3-chlorophenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(5-chloro-2-methylanilino)-N-(3-chlorophenyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(5-chloro-2-methylanilino)-N-(3-chlorophenyl)pyrimidine-5-carboxamide is Cc1ccc(Cl)cc1Nc1ncc(C(=O)Nc2cccc(Cl)c2)cn1.
What is the InChIKey of 2-(5-chloro-2-methylanilino)-N-(3-chlorophenyl)pyrimidine-5-carboxamide?
The InChIKey is JTQGTXNNIOUMJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N4O/c1-11-5-6-14(20)8-16(11)24-18-21-9-12(10-22-18)17(25)23-15-4-2-3-13(19)7-15/h2-10H,1H3,(H,23,25)(H,21,22,24).
What are the key properties of 2-(5-chloro-2-methylanilino)-N-(3-chlorophenyl)pyrimidine-5-carboxamide?
2-(5-chloro-2-methylanilino)-N-(3-chlorophenyl)pyrimidine-5-carboxamide has a molecular weight of 373.24 g/mol, XLogP of 5.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methylanilino)-N-(3-chlorophenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109268708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).