N-(2-chlorophenyl)-4,6-diphenylpyrimidine-2-carboxamide

C23H16ClN3O — CID 4245690

IUPACN-(2-chlorophenyl)-4,6-diphenylpyrimidine-2-carboxamide
SMILESO=C(Nc1ccccc1Cl)c1nc(-c2ccccc2)cc(-c2ccccc2)n1
InChIInChI=1S/C23H16ClN3O/c24-18-13-7-8-14-19(18)27-23(28)22-25-20(16-9-3-1-4-10-16)15-21(26-22)17-11-5-2-6-12-17/h1-15H,(H,27,28)
InChIKeyFRQWBUKBQIUKQT-UHFFFAOYSA-N
MW385.85 g/mol
LogP5.72
Rot. Bonds4

About N-(2-chlorophenyl)-4,6-diphenylpyrimidine-2-carboxamide

N-(2-chlorophenyl)-4,6-diphenylpyrimidine-2-carboxamide (PubChem CID 4245690) has the molecular formula C23H16ClN3O and a molecular weight of 385.85 g/mol. Its IUPAC name is N-(2-chlorophenyl)-4,6-diphenylpyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-4,6-diphenylpyrimidine-2-carboxamide
PubChem CID4245690
Molecular FormulaC23H16ClN3O
Molecular Weight385.85 g/mol
Exact Mass385.10
IUPAC NameN-(2-chlorophenyl)-4,6-diphenylpyrimidine-2-carboxamide
SMILESO=C(Nc1ccccc1Cl)c1nc(-c2ccccc2)cc(-c2ccccc2)n1
InChIInChI=1S/C23H16ClN3O/c24-18-13-7-8-14-19(18)27-23(28)22-25-20(16-9-3-1-4-10-16)15-21(26-22)17-11-5-2-6-12-17/h1-15H,(H,27,28)
InChIKeyFRQWBUKBQIUKQT-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-hydroxy-4,6-diphenylpyrimidine-2-carboxamide
CID 164614577
N-(3-methylphenyl)-4,6-diphenylpyrimidine-2-carboxamide
CID 3456434
N-(2-chlorophenyl)-4,6-dimethylpyridine-2-carboxamide
CID 19224329
N-(2-chlorophenyl)-2-methylquinoline-4-carboxamide
CID 856039
N-(2-chlorophenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)amino]benzamide
CID 2295552
N-(2-chlorophenyl)-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42271470
4,6-diphenyl-N'-propan-2-ylpyrimidine-2-carbohydrazide
CID 1361933
N-(2,3-dichlorophenyl)-2-(4,6-diphenylpyrimidin-2-yl)sulfanylacetamide
CID 3256970
N-(2-chlorophenyl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 53008238
N-(2-chlorophenyl)-4-phenylthiadiazole-5-carboxamide
CID 100745439
2-N,6-N-bis(2-chlorophenyl)-4-(trifluoromethyl)pyridine-2,6-dicarboxamide
CID 30772806
N-(2-chlorophenyl)-5-(4-fluorophenyl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 50814910

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-4,6-diphenylpyrimidine-2-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-4,6-diphenylpyrimidine-2-carboxamide (CID 4245690) is N-(2-chlorophenyl)-4,6-diphenylpyrimidine-2-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-4,6-diphenylpyrimidine-2-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-4,6-diphenylpyrimidine-2-carboxamide is O=C(Nc1ccccc1Cl)c1nc(-c2ccccc2)cc(-c2ccccc2)n1.
What is the InChIKey of N-(2-chlorophenyl)-4,6-diphenylpyrimidine-2-carboxamide?
The InChIKey is FRQWBUKBQIUKQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClN3O/c24-18-13-7-8-14-19(18)27-23(28)22-25-20(16-9-3-1-4-10-16)15-21(26-22)17-11-5-2-6-12-17/h1-15H,(H,27,28).
What are the key properties of N-(2-chlorophenyl)-4,6-diphenylpyrimidine-2-carboxamide?
N-(2-chlorophenyl)-4,6-diphenylpyrimidine-2-carboxamide 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 N-(2-chlorophenyl)-4,6-diphenylpyrimidine-2-carboxamide is sourced from PubChem (CID 4245690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).