N-(2-ethylphenyl)-2-pyrimidin-4-ylbenzamide

C19H17N3O — CID 23932539

IUPACN-(2-ethylphenyl)-2-pyrimidin-4-ylbenzamide
SMILESCCc1ccccc1NC(=O)c1ccccc1-c1ccncn1
InChIInChI=1S/C19H17N3O/c1-2-14-7-3-6-10-17(14)22-19(23)16-9-5-4-8-15(16)18-11-12-20-13-21-18/h3-13H,2H2,1H3,(H,22,23)
InChIKeyIXECODOIUYXOLO-UHFFFAOYSA-N
MW303.37 g/mol
LogP3.96
Rot. Bonds4

About N-(2-ethylphenyl)-2-pyrimidin-4-ylbenzamide

N-(2-ethylphenyl)-2-pyrimidin-4-ylbenzamide (PubChem CID 23932539) has the molecular formula C19H17N3O and a molecular weight of 303.37 g/mol. Its IUPAC name is N-(2-ethylphenyl)-2-pyrimidin-4-ylbenzamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-2-pyrimidin-4-ylbenzamide
PubChem CID23932539
Molecular FormulaC19H17N3O
Molecular Weight303.37 g/mol
Exact Mass303.14
IUPAC NameN-(2-ethylphenyl)-2-pyrimidin-4-ylbenzamide
SMILESCCc1ccccc1NC(=O)c1ccccc1-c1ccncn1
InChIInChI=1S/C19H17N3O/c1-2-14-7-3-6-10-17(14)22-19(23)16-9-5-4-8-15(16)18-11-12-20-13-21-18/h3-13H,2H2,1H3,(H,22,23)
InChIKeyIXECODOIUYXOLO-UHFFFAOYSA-N
XLogP3.96
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-pyrimidin-4-ylbenzamide
CID 68804434
1-N,2-N-bis(2-ethylphenyl)benzene-1,2-dicarboxamide
CID 4151337
3-chloro-N-(2-ethylphenyl)pyridine-4-carboxamide
CID 66462437
N-(2-ethylphenyl)-2,3-dimethylbenzamide
CID 7923827
N-(2-ethylphenyl)-2,3-difluorobenzamide
CID 62650811
N-(2-ethylphenyl)-2-methylsulfanylbenzamide
CID 973960
N-(2-chloro-3-pyridinyl)-2-ethylbenzamide
CID 103817631
N-pyridin-4-yl-2-[2-(pyridin-4-ylcarbamoyl)phenyl]benzamide
CID 23793145
N-(2-ethylphenyl)-2-[(4-fluorobenzoyl)amino]benzamide
CID 58758751
N-(2-ethylphenyl)-1-propylpyrrolo[2,3-b]pyridine-3-carboxamide
CID 53162961
N-[2-(hydroxymethyl)phenyl]-2-methoxypyridine-3-carboxamide
CID 61497876
N-[2-(ethylaminomethyl)phenyl]-2-methoxypyridine-3-carboxamide
CID 62873976

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-2-pyrimidin-4-ylbenzamide?
The IUPAC name of N-(2-ethylphenyl)-2-pyrimidin-4-ylbenzamide (CID 23932539) is N-(2-ethylphenyl)-2-pyrimidin-4-ylbenzamide.
What is the SMILES notation for N-(2-ethylphenyl)-2-pyrimidin-4-ylbenzamide?
The canonical SMILES for N-(2-ethylphenyl)-2-pyrimidin-4-ylbenzamide is CCc1ccccc1NC(=O)c1ccccc1-c1ccncn1.
What is the InChIKey of N-(2-ethylphenyl)-2-pyrimidin-4-ylbenzamide?
The InChIKey is IXECODOIUYXOLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O/c1-2-14-7-3-6-10-17(14)22-19(23)16-9-5-4-8-15(16)18-11-12-20-13-21-18/h3-13H,2H2,1H3,(H,22,23).
What are the key properties of N-(2-ethylphenyl)-2-pyrimidin-4-ylbenzamide?
N-(2-ethylphenyl)-2-pyrimidin-4-ylbenzamide has a molecular weight of 303.37 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-2-pyrimidin-4-ylbenzamide is sourced from PubChem (CID 23932539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).