N-(4-chlorophenyl)-2,4-diphenylpyrimidine-5-carboxamide

C23H16ClN3O — CID 1487226

IUPACN-(4-chlorophenyl)-2,4-diphenylpyrimidine-5-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1cnc(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C23H16ClN3O/c24-18-11-13-19(14-12-18)26-23(28)20-15-25-22(17-9-5-2-6-10-17)27-21(20)16-7-3-1-4-8-16/h1-15H,(H,26,28)
InChIKeyFIMFFMVDMNMTLJ-UHFFFAOYSA-N
MW385.85 g/mol
LogP5.72
Rot. Bonds4

About N-(4-chlorophenyl)-2,4-diphenylpyrimidine-5-carboxamide

N-(4-chlorophenyl)-2,4-diphenylpyrimidine-5-carboxamide (PubChem CID 1487226) has the molecular formula C23H16ClN3O and a molecular weight of 385.85 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2,4-diphenylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2,4-diphenylpyrimidine-5-carboxamide
PubChem CID1487226
Molecular FormulaC23H16ClN3O
Molecular Weight385.85 g/mol
Exact Mass385.10
IUPAC NameN-(4-chlorophenyl)-2,4-diphenylpyrimidine-5-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1cnc(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C23H16ClN3O/c24-18-11-13-19(14-12-18)26-23(28)20-15-25-22(17-9-5-2-6-10-17)27-21(20)16-7-3-1-4-8-16/h1-15H,(H,26,28)
InChIKeyFIMFFMVDMNMTLJ-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

Analyze N-(4-chlorophenyl)-2,4-diphenylpyrimidine-5-carboxamide 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

6-(2,6-dichlorophenyl)-8-methyl-2-(phenylamino)-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5327885
Bisanilinopyrimidine, 6p
CID 70702144
N-(4-chlorophenyl)-N'-[3-(2-methylpyrimidin-4-yl)phenyl]urea
CID 2819603
N-(4,6-diphenylpyrimidin-2-yl)-3-chlorobenzamide
CID 11234532
2-aminopyrido[2,3-d]pyrimidin-7(8H)-one 39
CID 5327886
2-[(4-chlorophenyl)amino]-6-(2,6-dichlorophenyl)-8-methyl-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5327891
6-(2,6-dichlorophenyl)-8-methyl-2-[(4-methylphenyl)amino]-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5327893
2-chloro-N-[3-(2-methylpyrimidin-4-yl)phenyl]benzamide
CID 2819595
Pyrido[2,3-d]pyrimidin-7(8H)-one deriv. 6w
CID 5328734
N-(4,6-diphenylpyrimidin-2-yl)-4-chlorobenzamide
CID 11211335
5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[2-(N,N-dimethylcarbamimidoyl)phenyl]benzoyl]amino]benzamide
CID 10075735
5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[2-(dimethylamino)phenyl]benzoyl]amino]benzamide
CID 44385500

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2,4-diphenylpyrimidine-5-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-2,4-diphenylpyrimidine-5-carboxamide (CID 1487226) is N-(4-chlorophenyl)-2,4-diphenylpyrimidine-5-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-2,4-diphenylpyrimidine-5-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-2,4-diphenylpyrimidine-5-carboxamide is O=C(Nc1ccc(Cl)cc1)c1cnc(-c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of N-(4-chlorophenyl)-2,4-diphenylpyrimidine-5-carboxamide?
The InChIKey is FIMFFMVDMNMTLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClN3O/c24-18-11-13-19(14-12-18)26-23(28)20-15-25-22(17-9-5-2-6-10-17)27-21(20)16-7-3-1-4-8-16/h1-15H,(H,26,28).
What are the key properties of N-(4-chlorophenyl)-2,4-diphenylpyrimidine-5-carboxamide?
N-(4-chlorophenyl)-2,4-diphenylpyrimidine-5-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-(4-chlorophenyl)-2,4-diphenylpyrimidine-5-carboxamide is sourced from PubChem (CID 1487226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).