4-chloro-N-(4,6-diphenylpyrimidin-2-yl)benzamide

C23H16ClN3O — CID 11211335

IUPAC4-chloro-N-(4,6-diphenylpyrimidin-2-yl)benzamide
SMILESO=C(Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1)c1ccc(Cl)cc1
InChIInChI=1S/C23H16ClN3O/c24-19-13-11-18(12-14-19)22(28)27-23-25-20(16-7-3-1-4-8-16)15-21(26-23)17-9-5-2-6-10-17/h1-15H,(H,25,26,27,28)
InChIKeyGXFPQKORTZOVLZ-UHFFFAOYSA-N
MW385.85 g/mol
LogP5.72
Rot. Bonds4

About 4-chloro-N-(4,6-diphenylpyrimidin-2-yl)benzamide

4-chloro-N-(4,6-diphenylpyrimidin-2-yl)benzamide (PubChem CID 11211335) has the molecular formula C23H16ClN3O and a molecular weight of 385.85 g/mol. Its IUPAC name is 4-chloro-N-(4,6-diphenylpyrimidin-2-yl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(4,6-diphenylpyrimidin-2-yl)benzamide
PubChem CID11211335
Molecular FormulaC23H16ClN3O
Molecular Weight385.85 g/mol
Exact Mass385.10
IUPAC Name4-chloro-N-(4,6-diphenylpyrimidin-2-yl)benzamide
SMILESO=C(Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1)c1ccc(Cl)cc1
InChIInChI=1S/C23H16ClN3O/c24-19-13-11-18(12-14-19)22(28)27-23-25-20(16-7-3-1-4-8-16)15-21(26-23)17-9-5-2-6-10-17/h1-15H,(H,25,26,27,28)
InChIKeyGXFPQKORTZOVLZ-UHFFFAOYSA-N
XLogP5.72
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.85
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4,6-diphenylpyrimidin-2-yl)benzamide
CID 11314132
Pentanoic acid (4,6-diphenylpyrimidin-2-yl)amide
CID 11450364
2,4-dichloro-N-(4,6-dimethylpyrimidin-2-yl)benzamide
CID 670267
N-(4,6-diphenylpyrimidin-2-yl)-3-chlorobenzamide
CID 11234532
N-(2,6-diphenylpyrimidin-4-yl)benzamide
CID 11245073
N-{4-[(2-carbamimidamidocyclohexyl)amino]-6-methylquinazolin-2-yl}-4-chlorobenzamide
CID 17864714
N-(4-{[(1S,2R)-2-carbamimidamidocyclohexyl]amino}-6-methylquinazolin-2-yl)-4-chlorobenzamide
CID 25190636
2-(4-{[2-(3-Chlorophenyl)-6-ethylpyrimidin-4-yl]methyl}phenyl)acetamide
CID 74221424
4-chloro-N-quinolin-2-ylbenzamide
CID 2812964
N-(4-{[(1R,2S)-2-carbamimidamidocyclohexyl]amino}-6-methylquinazolin-2-yl)-4-chlorobenzamide
CID 25190637
N,N'-2,6-pyridinediylbis(4-chlorobenzamide)
CID 2837061
N-(4,6-diphenylpyrimidin-2-yl)cyclohexanecarboxamide
CID 11428282

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4,6-diphenylpyrimidin-2-yl)benzamide?
The IUPAC name of 4-chloro-N-(4,6-diphenylpyrimidin-2-yl)benzamide (CID 11211335) is 4-chloro-N-(4,6-diphenylpyrimidin-2-yl)benzamide.
What is the SMILES notation for 4-chloro-N-(4,6-diphenylpyrimidin-2-yl)benzamide?
The canonical SMILES for 4-chloro-N-(4,6-diphenylpyrimidin-2-yl)benzamide is O=C(Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(4,6-diphenylpyrimidin-2-yl)benzamide?
The InChIKey is GXFPQKORTZOVLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClN3O/c24-19-13-11-18(12-14-19)22(28)27-23-25-20(16-7-3-1-4-8-16)15-21(26-23)17-9-5-2-6-10-17/h1-15H,(H,25,26,27,28).
What are the key properties of 4-chloro-N-(4,6-diphenylpyrimidin-2-yl)benzamide?
4-chloro-N-(4,6-diphenylpyrimidin-2-yl)benzamide has a molecular weight of 385.85 g/mol, XLogP of 5.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4,6-diphenylpyrimidin-2-yl)benzamide is sourced from PubChem (CID 11211335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).