4-(2-anilinopyrimidin-4-yl)-N-phenylbenzamide

C23H18N4O — CID 10090314

IUPAC4-(2-anilinopyrimidin-4-yl)-N-phenylbenzamide
SMILESO=C(Nc1ccccc1)c1ccc(-c2ccnc(Nc3ccccc3)n2)cc1
InChIInChI=1S/C23H18N4O/c28-22(25-19-7-3-1-4-8-19)18-13-11-17(12-14-18)21-15-16-24-23(27-21)26-20-9-5-2-6-10-20/h1-16H,(H,25,28)(H,24,26,27)
InChIKeyQEDBCZHOMJLJAR-UHFFFAOYSA-N
MW366.42 g/mol
LogP5.14
Rot. Bonds5

About 4-(2-anilinopyrimidin-4-yl)-N-phenylbenzamide

4-(2-anilinopyrimidin-4-yl)-N-phenylbenzamide (PubChem CID 10090314) has the molecular formula C23H18N4O and a molecular weight of 366.42 g/mol. Its IUPAC name is 4-(2-anilinopyrimidin-4-yl)-N-phenylbenzamide.

Molecular Properties

Compound Name4-(2-anilinopyrimidin-4-yl)-N-phenylbenzamide
PubChem CID10090314
Molecular FormulaC23H18N4O
Molecular Weight366.42 g/mol
Exact Mass366.15
IUPAC Name4-(2-anilinopyrimidin-4-yl)-N-phenylbenzamide
SMILESO=C(Nc1ccccc1)c1ccc(-c2ccnc(Nc3ccccc3)n2)cc1
InChIInChI=1S/C23H18N4O/c28-22(25-19-7-3-1-4-8-19)18-13-11-17(12-14-18)21-15-16-24-23(27-21)26-20-9-5-2-6-10-20/h1-16H,(H,25,28)(H,24,26,27)
InChIKeyQEDBCZHOMJLJAR-UHFFFAOYSA-N
XLogP5.14
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.42
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]benzamide
CID 58716978
N-[4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]naphthalene-2-carboxamide
CID 11625869
N-phenyl-4-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 57446828
4-[[4-(4-methylphenyl)pyrimidin-2-yl]amino]-N-propan-2-ylbenzamide
CID 142145525
4-[(4-pyridin-4-ylpyrimidin-2-yl)amino]benzamide
CID 69235477
N-[1-[2-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]phenyl]ethyl]benzamide
CID 140543628
acetaldehyde;1-[4-[2-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidin-4-yl]phenyl]-3-phenylurea
CID 142946245
2-anilino-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109313398
2-[4-[(4-phenylpyrimidin-2-yl)amino]phenyl]acetic acid
CID 59588134
N-(4-anilinophenyl)-4-phenylbenzamide
CID 3363408
4-naphthalen-2-yl-N-phenylpyrimidin-2-amine
CID 66493679
4-[[4-(4-pyrrol-1-ylphenyl)pyrimidin-2-yl]amino]benzamide
CID 58599454

Frequently Asked Questions

What is the IUPAC name of 4-(2-anilinopyrimidin-4-yl)-N-phenylbenzamide?
The IUPAC name of 4-(2-anilinopyrimidin-4-yl)-N-phenylbenzamide (CID 10090314) is 4-(2-anilinopyrimidin-4-yl)-N-phenylbenzamide.
What is the SMILES notation for 4-(2-anilinopyrimidin-4-yl)-N-phenylbenzamide?
The canonical SMILES for 4-(2-anilinopyrimidin-4-yl)-N-phenylbenzamide is O=C(Nc1ccccc1)c1ccc(-c2ccnc(Nc3ccccc3)n2)cc1.
What is the InChIKey of 4-(2-anilinopyrimidin-4-yl)-N-phenylbenzamide?
The InChIKey is QEDBCZHOMJLJAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O/c28-22(25-19-7-3-1-4-8-19)18-13-11-17(12-14-18)21-15-16-24-23(27-21)26-20-9-5-2-6-10-20/h1-16H,(H,25,28)(H,24,26,27).
What are the key properties of 4-(2-anilinopyrimidin-4-yl)-N-phenylbenzamide?
4-(2-anilinopyrimidin-4-yl)-N-phenylbenzamide has a molecular weight of 366.42 g/mol, XLogP of 5.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-anilinopyrimidin-4-yl)-N-phenylbenzamide is sourced from PubChem (CID 10090314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).