N-(3-chlorophenyl)-3-[[2-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide

C24H19ClN4O — CID 46331241

IUPACN-(3-chlorophenyl)-3-[[2-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide
SMILESCc1ccc(-c2nccc(Nc3cccc(C(=O)Nc4cccc(Cl)c4)c3)n2)cc1
InChIInChI=1S/C24H19ClN4O/c1-16-8-10-17(11-9-16)23-26-13-12-22(29-23)27-20-6-2-4-18(14-20)24(30)28-21-7-3-5-19(25)15-21/h2-15H,1H3,(H,28,30)(H,26,27,29)
InChIKeyFBRGHTQQXCBDJN-UHFFFAOYSA-N
MW414.90 g/mol
LogP6.10
Rot. Bonds5

About N-(3-chlorophenyl)-3-[[2-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide

N-(3-chlorophenyl)-3-[[2-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide (PubChem CID 46331241) has the molecular formula C24H19ClN4O and a molecular weight of 414.90 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3-[[2-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-3-[[2-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide
PubChem CID46331241
Molecular FormulaC24H19ClN4O
Molecular Weight414.90 g/mol
Exact Mass414.12
IUPAC NameN-(3-chlorophenyl)-3-[[2-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide
SMILESCc1ccc(-c2nccc(Nc3cccc(C(=O)Nc4cccc(Cl)c4)c3)n2)cc1
InChIInChI=1S/C24H19ClN4O/c1-16-8-10-17(11-9-16)23-26-13-12-22(29-23)27-20-6-2-4-18(14-20)24(30)28-21-7-3-5-19(25)15-21/h2-15H,1H3,(H,28,30)(H,26,27,29)
InChIKeyFBRGHTQQXCBDJN-UHFFFAOYSA-N
XLogP6.10
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.90
LogP ≤ 56.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(3-chlorophenyl)-3-[[2-(4-methylphenyl)pyrimidin-4-yl]amino]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-(4-chlorophenyl)-4-[[2-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide
CID 53078235
3-[(3-chlorobenzoyl)amino]-N-(4-methyl-2-pyridinyl)benzamide
CID 1040986
N-(3,4-dimethoxyphenyl)-3-[(2-phenylpyrimidin-4-yl)amino]benzamide
CID 46331382
N-(3,5-dimethylphenyl)-4-[[2-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide
CID 53078214
3-chloro-N-(4-methylphenyl)benzamide
CID 722375
ethyl 3-[(2-pyridin-4-ylpyrimidin-4-yl)amino]benzoate
CID 90353046
2-(3-chloroanilino)-N-(3-methoxyphenyl)pyridine-4-carboxamide
CID 109177464
2-(3-acetylanilino)-N-(4-chlorophenyl)pyridine-4-carboxamide
CID 109177507
N-(2-methylpropyl)-3-[(2-phenylpyrimidin-4-yl)amino]benzamide
CID 46331360
3-chloro-N-(3-methylphenyl)benzamide
CID 722373
3-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-(2-methylpropyl)benzamide
CID 46331137
N-(4-chlorophenyl)-3-[2-(4-methylphenyl)pyrimidin-4-yl]oxybenzamide
CID 46388831

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-3-[[2-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide?
The IUPAC name of N-(3-chlorophenyl)-3-[[2-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide (CID 46331241) is N-(3-chlorophenyl)-3-[[2-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide.
What is the SMILES notation for N-(3-chlorophenyl)-3-[[2-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide?
The canonical SMILES for N-(3-chlorophenyl)-3-[[2-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide is Cc1ccc(-c2nccc(Nc3cccc(C(=O)Nc4cccc(Cl)c4)c3)n2)cc1.
What is the InChIKey of N-(3-chlorophenyl)-3-[[2-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide?
The InChIKey is FBRGHTQQXCBDJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN4O/c1-16-8-10-17(11-9-16)23-26-13-12-22(29-23)27-20-6-2-4-18(14-20)24(30)28-21-7-3-5-19(25)15-21/h2-15H,1H3,(H,28,30)(H,26,27,29).
What are the key properties of N-(3-chlorophenyl)-3-[[2-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide?
N-(3-chlorophenyl)-3-[[2-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide has a molecular weight of 414.90 g/mol, XLogP of 6.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-3-[[2-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide is sourced from PubChem (CID 46331241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).