2-benzoyl-N-[(6-phenylpyrimidin-4-yl)methyl]benzamide

C25H19N3O2 — CID 122261778

IUPAC2-benzoyl-N-[(6-phenylpyrimidin-4-yl)methyl]benzamide
SMILESO=C(NCc1cc(-c2ccccc2)ncn1)c1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C25H19N3O2/c29-24(19-11-5-2-6-12-19)21-13-7-8-14-22(21)25(30)26-16-20-15-23(28-17-27-20)18-9-3-1-4-10-18/h1-15,17H,16H2,(H,26,30)
InChIKeyKBZZGNMQHDWLCM-UHFFFAOYSA-N
MW393.45 g/mol
LogP4.30
Rot. Bonds6

About 2-benzoyl-N-[(6-phenylpyrimidin-4-yl)methyl]benzamide

2-benzoyl-N-[(6-phenylpyrimidin-4-yl)methyl]benzamide (PubChem CID 122261778) has the molecular formula C25H19N3O2 and a molecular weight of 393.45 g/mol. Its IUPAC name is 2-benzoyl-N-[(6-phenylpyrimidin-4-yl)methyl]benzamide.

Molecular Properties

Compound Name2-benzoyl-N-[(6-phenylpyrimidin-4-yl)methyl]benzamide
PubChem CID122261778
Molecular FormulaC25H19N3O2
Molecular Weight393.45 g/mol
Exact Mass393.15
IUPAC Name2-benzoyl-N-[(6-phenylpyrimidin-4-yl)methyl]benzamide
SMILESO=C(NCc1cc(-c2ccccc2)ncn1)c1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C25H19N3O2/c29-24(19-11-5-2-6-12-19)21-13-7-8-14-22(21)25(30)26-16-20-15-23(28-17-27-20)18-9-3-1-4-10-18/h1-15,17H,16H2,(H,26,30)
InChIKeyKBZZGNMQHDWLCM-UHFFFAOYSA-N
XLogP4.30
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-oxo-N-[(6-phenylpyrimidin-4-yl)methyl]-1H-pyridine-3-carboxamide
CID 122261802
3,5-dichloro-N-[(6-phenylpyrimidin-4-yl)methyl]benzamide
CID 122261935
2,6-difluoro-N-[(6-phenylpyrimidin-4-yl)methyl]benzamide
CID 122261961
N-[(6-phenylpyrimidin-4-yl)methyl]pyridine-2-carboxamide
CID 122261812
2-(4-methylbenzoyl)-N-[(6-methylpyrimidin-4-yl)methyl]benzamide
CID 122263270
4-oxo-4-phenyl-N-[(6-phenylpyrimidin-4-yl)methyl]butanamide
CID 122261913
2-bromo-N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]benzamide
CID 122262955
2-oxo-N-[(6-phenylpyrimidin-4-yl)methyl]chromene-3-carboxamide
CID 122261785
2-chloro-5-nitro-N-[(6-phenylpyrimidin-4-yl)methyl]benzamide
CID 122261794
2,4-dioxo-N-[(6-phenylpyrimidin-4-yl)methyl]-1H-pyrimidine-6-carboxamide
CID 122262021
6-ethoxy-N-[(6-phenylpyrimidin-4-yl)methyl]pyridine-3-carboxamide
CID 122262059
N-[(6-phenylpyrimidin-4-yl)methyl]cyclopentanecarboxamide
CID 122261740

Frequently Asked Questions

What is the IUPAC name of 2-benzoyl-N-[(6-phenylpyrimidin-4-yl)methyl]benzamide?
The IUPAC name of 2-benzoyl-N-[(6-phenylpyrimidin-4-yl)methyl]benzamide (CID 122261778) is 2-benzoyl-N-[(6-phenylpyrimidin-4-yl)methyl]benzamide.
What is the SMILES notation for 2-benzoyl-N-[(6-phenylpyrimidin-4-yl)methyl]benzamide?
The canonical SMILES for 2-benzoyl-N-[(6-phenylpyrimidin-4-yl)methyl]benzamide is O=C(NCc1cc(-c2ccccc2)ncn1)c1ccccc1C(=O)c1ccccc1.
What is the InChIKey of 2-benzoyl-N-[(6-phenylpyrimidin-4-yl)methyl]benzamide?
The InChIKey is KBZZGNMQHDWLCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N3O2/c29-24(19-11-5-2-6-12-19)21-13-7-8-14-22(21)25(30)26-16-20-15-23(28-17-27-20)18-9-3-1-4-10-18/h1-15,17H,16H2,(H,26,30).
What are the key properties of 2-benzoyl-N-[(6-phenylpyrimidin-4-yl)methyl]benzamide?
2-benzoyl-N-[(6-phenylpyrimidin-4-yl)methyl]benzamide has a molecular weight of 393.45 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzoyl-N-[(6-phenylpyrimidin-4-yl)methyl]benzamide is sourced from PubChem (CID 122261778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).