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

C23H16Cl2N4O — CID 58716978

IUPACN-(4-chlorophenyl)-4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]benzamide
SMILESO=C(Nc1ccc(Cl)cc1)c1ccc(Nc2nccc(-c3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C23H16Cl2N4O/c24-17-5-1-15(2-6-17)21-13-14-26-23(29-21)28-20-9-3-16(4-10-20)22(30)27-19-11-7-18(25)8-12-19/h1-14H,(H,27,30)(H,26,28,29)
InChIKeyGAXMENKCQVWVHF-UHFFFAOYSA-N
MW435.31 g/mol
LogP6.45
Rot. Bonds5

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

N-(4-chlorophenyl)-4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]benzamide (PubChem CID 58716978) has the molecular formula C23H16Cl2N4O and a molecular weight of 435.31 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]benzamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]benzamide
PubChem CID58716978
Molecular FormulaC23H16Cl2N4O
Molecular Weight435.31 g/mol
Exact Mass434.07
IUPAC NameN-(4-chlorophenyl)-4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]benzamide
SMILESO=C(Nc1ccc(Cl)cc1)c1ccc(Nc2nccc(-c3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C23H16Cl2N4O/c24-17-5-1-15(2-6-17)21-13-14-26-23(29-21)28-20-9-3-16(4-10-20)22(30)27-19-11-7-18(25)8-12-19/h1-14H,(H,27,30)(H,26,28,29)
InChIKeyGAXMENKCQVWVHF-UHFFFAOYSA-N
XLogP6.45
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.31
LogP ≤ 56.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(4-chlorophenyl)-4-[[4-(4-chlorophenyl)pyrimidin-2-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

4-(2-anilinopyrimidin-4-yl)-N-phenylbenzamide
CID 10090314
methyl 4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]benzoate
CID 68901316
4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]-N-(4-methoxy-2-methylphenyl)benzamide
CID 58716815
4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]-N-(furan-2-ylmethyl)benzamide
CID 58716628
[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]phenyl]-morpholin-4-ylmethanone
CID 58716722
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]benzamide
CID 58716802
N-(4-chlorophenyl)-4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide
CID 11281472
4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]-N,N-bis(3-methylbutyl)benzamide
CID 58716932
[4-[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]benzoyl]piperazin-1-yl]-cyclopentylmethanone
CID 58716733
4-[[4-(4-methylphenyl)pyrimidin-2-yl]amino]-N-propan-2-ylbenzamide
CID 142145525
1-[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]phenyl]-5-pyrrol-1-ylpentan-1-one
CID 58599490
N-(4-chlorophenyl)-4-[[2-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide
CID 53078235

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]benzamide?
The IUPAC name of N-(4-chlorophenyl)-4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]benzamide (CID 58716978) is N-(4-chlorophenyl)-4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]benzamide.
What is the SMILES notation for N-(4-chlorophenyl)-4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]benzamide?
The canonical SMILES for N-(4-chlorophenyl)-4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]benzamide is O=C(Nc1ccc(Cl)cc1)c1ccc(Nc2nccc(-c3ccc(Cl)cc3)n2)cc1.
What is the InChIKey of N-(4-chlorophenyl)-4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]benzamide?
The InChIKey is GAXMENKCQVWVHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16Cl2N4O/c24-17-5-1-15(2-6-17)21-13-14-26-23(29-21)28-20-9-3-16(4-10-20)22(30)27-19-11-7-18(25)8-12-19/h1-14H,(H,27,30)(H,26,28,29).
What are the key properties of N-(4-chlorophenyl)-4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]benzamide?
N-(4-chlorophenyl)-4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]benzamide has a molecular weight of 435.31 g/mol, XLogP of 6.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]benzamide is sourced from PubChem (CID 58716978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).