2-(4-chloroanilino)-N-[(4-chlorophenyl)methyl]pyrimidine-5-carboxamide

C18H14Cl2N4O — CID 109257635

IUPAC2-(4-chloroanilino)-N-[(4-chlorophenyl)methyl]pyrimidine-5-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1cnc(Nc2ccc(Cl)cc2)nc1
InChIInChI=1S/C18H14Cl2N4O/c19-14-3-1-12(2-4-14)9-21-17(25)13-10-22-18(23-11-13)24-16-7-5-15(20)6-8-16/h1-8,10-11H,9H2,(H,21,25)(H,22,23,24)
InChIKeyDVIGTBKPDFMDTK-UHFFFAOYSA-N
MW373.24 g/mol
LogP4.46
Rot. Bonds5

About 2-(4-chloroanilino)-N-[(4-chlorophenyl)methyl]pyrimidine-5-carboxamide

2-(4-chloroanilino)-N-[(4-chlorophenyl)methyl]pyrimidine-5-carboxamide (PubChem CID 109257635) has the molecular formula C18H14Cl2N4O and a molecular weight of 373.24 g/mol. Its IUPAC name is 2-(4-chloroanilino)-N-[(4-chlorophenyl)methyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(4-chloroanilino)-N-[(4-chlorophenyl)methyl]pyrimidine-5-carboxamide
PubChem CID109257635
Molecular FormulaC18H14Cl2N4O
Molecular Weight373.24 g/mol
Exact Mass372.05
IUPAC Name2-(4-chloroanilino)-N-[(4-chlorophenyl)methyl]pyrimidine-5-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1cnc(Nc2ccc(Cl)cc2)nc1
InChIInChI=1S/C18H14Cl2N4O/c19-14-3-1-12(2-4-14)9-21-17(25)13-10-22-18(23-11-13)24-16-7-5-15(20)6-8-16/h1-8,10-11H,9H2,(H,21,25)(H,22,23,24)
InChIKeyDVIGTBKPDFMDTK-UHFFFAOYSA-N
XLogP4.46
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.24
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(4-chloroanilino)-N-[(4-chlorophenyl)methyl]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-[(4-chlorophenyl)methyl]-2-[(4-chlorophenyl)methylamino]pyrimidine-5-carboxamide
CID 109257576
2-(benzylamino)-N-[(4-chlorophenyl)methyl]pyrimidine-5-carboxamide
CID 109255380
2-(3-chloroanilino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109256149
2-(4-acetamidoanilino)-N-benzylpyrimidine-5-carboxamide
CID 109255327
2-(4-bromoanilino)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
CID 109259175
6-(4-chloroanilino)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 109156061
2-(4-chloroanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-5-carboxamide
CID 109257832
2-(4-chloroanilino)-N-[2-(3-chlorophenyl)ethyl]pyrimidine-5-carboxamide
CID 109264775
N-[(4-chlorophenyl)methyl]-2-(2-ethoxyanilino)pyrimidine-5-carboxamide
CID 109257644
2-(3,5-dimethylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109256132
N-(pyridin-4-ylmethyl)-2-[4-(trifluoromethyl)anilino]pyrimidine-5-carboxamide
CID 109259190
N-[(4-chlorophenyl)methyl]-2-(3-methylbutylamino)pyrimidine-5-carboxamide
CID 109257600

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloroanilino)-N-[(4-chlorophenyl)methyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-(4-chloroanilino)-N-[(4-chlorophenyl)methyl]pyrimidine-5-carboxamide (CID 109257635) is 2-(4-chloroanilino)-N-[(4-chlorophenyl)methyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(4-chloroanilino)-N-[(4-chlorophenyl)methyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-(4-chloroanilino)-N-[(4-chlorophenyl)methyl]pyrimidine-5-carboxamide is O=C(NCc1ccc(Cl)cc1)c1cnc(Nc2ccc(Cl)cc2)nc1.
What is the InChIKey of 2-(4-chloroanilino)-N-[(4-chlorophenyl)methyl]pyrimidine-5-carboxamide?
The InChIKey is DVIGTBKPDFMDTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N4O/c19-14-3-1-12(2-4-14)9-21-17(25)13-10-22-18(23-11-13)24-16-7-5-15(20)6-8-16/h1-8,10-11H,9H2,(H,21,25)(H,22,23,24).
What are the key properties of 2-(4-chloroanilino)-N-[(4-chlorophenyl)methyl]pyrimidine-5-carboxamide?
2-(4-chloroanilino)-N-[(4-chlorophenyl)methyl]pyrimidine-5-carboxamide has a molecular weight of 373.24 g/mol, XLogP of 4.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloroanilino)-N-[(4-chlorophenyl)methyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 109257635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).