N-(3-chlorophenyl)-4-[(6-phenylpyrimidin-4-yl)amino]benzamide

C23H17ClN4O — CID 46327430

IUPACN-(3-chlorophenyl)-4-[(6-phenylpyrimidin-4-yl)amino]benzamide
SMILESO=C(Nc1cccc(Cl)c1)c1ccc(Nc2cc(-c3ccccc3)ncn2)cc1
InChIInChI=1S/C23H17ClN4O/c24-18-7-4-8-20(13-18)28-23(29)17-9-11-19(12-10-17)27-22-14-21(25-15-26-22)16-5-2-1-3-6-16/h1-15H,(H,28,29)(H,25,26,27)
InChIKeyCYKKSWXMAPACBQ-UHFFFAOYSA-N
MW400.87 g/mol
LogP5.79
Rot. Bonds5

About N-(3-chlorophenyl)-4-[(6-phenylpyrimidin-4-yl)amino]benzamide

N-(3-chlorophenyl)-4-[(6-phenylpyrimidin-4-yl)amino]benzamide (PubChem CID 46327430) has the molecular formula C23H17ClN4O and a molecular weight of 400.87 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4-[(6-phenylpyrimidin-4-yl)amino]benzamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-4-[(6-phenylpyrimidin-4-yl)amino]benzamide
PubChem CID46327430
Molecular FormulaC23H17ClN4O
Molecular Weight400.87 g/mol
Exact Mass400.11
IUPAC NameN-(3-chlorophenyl)-4-[(6-phenylpyrimidin-4-yl)amino]benzamide
SMILESO=C(Nc1cccc(Cl)c1)c1ccc(Nc2cc(-c3ccccc3)ncn2)cc1
InChIInChI=1S/C23H17ClN4O/c24-18-7-4-8-20(13-18)28-23(29)17-9-11-19(12-10-17)27-22-14-21(25-15-26-22)16-5-2-1-3-6-16/h1-15H,(H,28,29)(H,25,26,27)
InChIKeyCYKKSWXMAPACBQ-UHFFFAOYSA-N
XLogP5.79
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.87
LogP ≤ 55.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(6-phenylpyrimidin-4-yl)amino]benzoic acid
CID 1408950
4-[(6-phenylpyrimidin-4-yl)amino]benzoic acid;hydrochloride
CID 16876551
N-(3-bromophenyl)-4-[[6-(3-fluorophenyl)pyrimidin-4-yl]amino]benzamide
CID 46327403
1-[3-(6-anilinopyrimidin-4-yl)phenyl]ethanone
CID 117088334
N-(3-chlorophenyl)-6-(4-fluoroanilino)pyrimidine-4-carboxamide
CID 109357928
N-(3-chloro-4-methylphenyl)-3-[[6-(3-methylphenyl)pyrimidin-4-yl]amino]benzamide
CID 46327066
N-(4-bromo-3-methylphenyl)-4-[[6-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide
CID 46327362
N-(3-chloro-4-methylphenyl)-3-[[6-(4-fluorophenyl)pyrimidin-4-yl]amino]benzamide
CID 46327113
N-(3-chlorophenyl)-6-(4-cyanoanilino)pyrimidine-4-carboxamide
CID 109358217
4-(6-anilinopyrimidin-4-yl)-N,N-dimethylbenzamide
CID 3235401
6-(4-acetylanilino)-N-(3-chlorophenyl)pyridine-3-carboxamide
CID 109163447
6-(3-chloroanilino)-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide
CID 109358177

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-4-[(6-phenylpyrimidin-4-yl)amino]benzamide?
The IUPAC name of N-(3-chlorophenyl)-4-[(6-phenylpyrimidin-4-yl)amino]benzamide (CID 46327430) is N-(3-chlorophenyl)-4-[(6-phenylpyrimidin-4-yl)amino]benzamide.
What is the SMILES notation for N-(3-chlorophenyl)-4-[(6-phenylpyrimidin-4-yl)amino]benzamide?
The canonical SMILES for N-(3-chlorophenyl)-4-[(6-phenylpyrimidin-4-yl)amino]benzamide is O=C(Nc1cccc(Cl)c1)c1ccc(Nc2cc(-c3ccccc3)ncn2)cc1.
What is the InChIKey of N-(3-chlorophenyl)-4-[(6-phenylpyrimidin-4-yl)amino]benzamide?
The InChIKey is CYKKSWXMAPACBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClN4O/c24-18-7-4-8-20(13-18)28-23(29)17-9-11-19(12-10-17)27-22-14-21(25-15-26-22)16-5-2-1-3-6-16/h1-15H,(H,28,29)(H,25,26,27).
What are the key properties of N-(3-chlorophenyl)-4-[(6-phenylpyrimidin-4-yl)amino]benzamide?
N-(3-chlorophenyl)-4-[(6-phenylpyrimidin-4-yl)amino]benzamide has a molecular weight of 400.87 g/mol, XLogP of 5.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-4-[(6-phenylpyrimidin-4-yl)amino]benzamide is sourced from PubChem (CID 46327430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).