3-(2-anilinopyrimidin-4-yl)-N-[(2,3-dichlorophenyl)methyl]benzamide

C24H18Cl2N4O — CID 10072388

IUPAC3-(2-anilinopyrimidin-4-yl)-N-[(2,3-dichlorophenyl)methyl]benzamide
SMILESO=C(NCc1cccc(Cl)c1Cl)c1cccc(-c2ccnc(Nc3ccccc3)n2)c1
InChIInChI=1S/C24H18Cl2N4O/c25-20-11-5-8-18(22(20)26)15-28-23(31)17-7-4-6-16(14-17)21-12-13-27-24(30-21)29-19-9-2-1-3-10-19/h1-14H,15H2,(H,28,31)(H,27,29,30)
InChIKeyUFXIZNSLLVOYBR-UHFFFAOYSA-N
MW449.34 g/mol
LogP6.12
Rot. Bonds6

About 3-(2-anilinopyrimidin-4-yl)-N-[(2,3-dichlorophenyl)methyl]benzamide

3-(2-anilinopyrimidin-4-yl)-N-[(2,3-dichlorophenyl)methyl]benzamide (PubChem CID 10072388) has the molecular formula C24H18Cl2N4O and a molecular weight of 449.34 g/mol. Its IUPAC name is 3-(2-anilinopyrimidin-4-yl)-N-[(2,3-dichlorophenyl)methyl]benzamide.

Molecular Properties

Compound Name3-(2-anilinopyrimidin-4-yl)-N-[(2,3-dichlorophenyl)methyl]benzamide
PubChem CID10072388
Molecular FormulaC24H18Cl2N4O
Molecular Weight449.34 g/mol
Exact Mass448.09
IUPAC Name3-(2-anilinopyrimidin-4-yl)-N-[(2,3-dichlorophenyl)methyl]benzamide
SMILESO=C(NCc1cccc(Cl)c1Cl)c1cccc(-c2ccnc(Nc3ccccc3)n2)c1
InChIInChI=1S/C24H18Cl2N4O/c25-20-11-5-8-18(22(20)26)15-28-23(31)17-7-4-6-16(14-17)21-12-13-27-24(30-21)29-19-9-2-1-3-10-19/h1-14H,15H2,(H,28,31)(H,27,29,30)
InChIKeyUFXIZNSLLVOYBR-UHFFFAOYSA-N
XLogP6.12
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.34
LogP ≤ 56.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(2-anilinopyrimidin-4-yl)-N-[(2,3-dichlorophenyl)methyl]benzamide 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-[(2-chlorophenyl)methyl]-3-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide
CID 108792460
5-(2-anilinopyrimidin-4-yl)-N-benzyl-2-methylbenzamide
CID 10023555
N-[(2-chlorophenyl)methyl]-3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide
CID 108797150
N-[(2-chlorophenyl)methyl]-3-[[5-(3-methylphenyl)pyrimidin-2-yl]amino]benzamide
CID 50826639
4-N-[(2-chlorophenyl)methyl]-2-N-phenylpyridine-2,4-dicarboxamide
CID 109086644
N-[(2-chlorophenyl)methyl]-4-[[2-(3-fluorophenyl)pyrimidin-4-yl]amino]benzamide
CID 53078306
3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[(2-phenyl-6-bicyclo[3.1.1]hepta-1,3,5(7)-trienyl)methyl]benzamide
CID 141186023
2-[4-[(4-phenylpyrimidin-2-yl)amino]phenyl]acetic acid
CID 59588134
4-(2-anilinopyrimidin-4-yl)-N-phenylbenzamide
CID 10090314
N-[(2-chlorophenyl)methyl]-3-quinolin-3-ylbenzamide
CID 46389949
2-(2-chlorophenyl)-N-[2-cyano-4-[2-(pyridin-4-ylamino)pyrimidin-4-yl]phenyl]acetamide
CID 130204632
2-(3-acetylanilino)-N-[(2-chlorophenyl)methyl]pyridine-4-carboxamide
CID 109170767

Frequently Asked Questions

What is the IUPAC name of 3-(2-anilinopyrimidin-4-yl)-N-[(2,3-dichlorophenyl)methyl]benzamide?
The IUPAC name of 3-(2-anilinopyrimidin-4-yl)-N-[(2,3-dichlorophenyl)methyl]benzamide (CID 10072388) is 3-(2-anilinopyrimidin-4-yl)-N-[(2,3-dichlorophenyl)methyl]benzamide.
What is the SMILES notation for 3-(2-anilinopyrimidin-4-yl)-N-[(2,3-dichlorophenyl)methyl]benzamide?
The canonical SMILES for 3-(2-anilinopyrimidin-4-yl)-N-[(2,3-dichlorophenyl)methyl]benzamide is O=C(NCc1cccc(Cl)c1Cl)c1cccc(-c2ccnc(Nc3ccccc3)n2)c1.
What is the InChIKey of 3-(2-anilinopyrimidin-4-yl)-N-[(2,3-dichlorophenyl)methyl]benzamide?
The InChIKey is UFXIZNSLLVOYBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18Cl2N4O/c25-20-11-5-8-18(22(20)26)15-28-23(31)17-7-4-6-16(14-17)21-12-13-27-24(30-21)29-19-9-2-1-3-10-19/h1-14H,15H2,(H,28,31)(H,27,29,30).
What are the key properties of 3-(2-anilinopyrimidin-4-yl)-N-[(2,3-dichlorophenyl)methyl]benzamide?
3-(2-anilinopyrimidin-4-yl)-N-[(2,3-dichlorophenyl)methyl]benzamide has a molecular weight of 449.34 g/mol, XLogP of 6.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-anilinopyrimidin-4-yl)-N-[(2,3-dichlorophenyl)methyl]benzamide is sourced from PubChem (CID 10072388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).