N-(2-phenylpyrimidin-4-yl)-2-(trifluoromethyl)benzamide

C18H12F3N3O — CID 71848765

IUPACN-(2-phenylpyrimidin-4-yl)-2-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccnc(-c2ccccc2)n1)c1ccccc1C(F)(F)F
InChIInChI=1S/C18H12F3N3O/c19-18(20,21)14-9-5-4-8-13(14)17(25)24-15-10-11-22-16(23-15)12-6-2-1-3-7-12/h1-11H,(H,22,23,24,25)
InChIKeyHHVAMSFGRUXEGA-UHFFFAOYSA-N
MW343.31 g/mol
LogP4.41
Rot. Bonds3

About N-(2-phenylpyrimidin-4-yl)-2-(trifluoromethyl)benzamide

N-(2-phenylpyrimidin-4-yl)-2-(trifluoromethyl)benzamide (PubChem CID 71848765) has the molecular formula C18H12F3N3O and a molecular weight of 343.31 g/mol. Its IUPAC name is N-(2-phenylpyrimidin-4-yl)-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(2-phenylpyrimidin-4-yl)-2-(trifluoromethyl)benzamide
PubChem CID71848765
Molecular FormulaC18H12F3N3O
Molecular Weight343.31 g/mol
Exact Mass343.09
IUPAC NameN-(2-phenylpyrimidin-4-yl)-2-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccnc(-c2ccccc2)n1)c1ccccc1C(F)(F)F
InChIInChI=1S/C18H12F3N3O/c19-18(20,21)14-9-5-4-8-13(14)17(25)24-15-10-11-22-16(23-15)12-6-2-1-3-7-12/h1-11H,(H,22,23,24,25)
InChIKeyHHVAMSFGRUXEGA-UHFFFAOYSA-N
XLogP4.41
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.31
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-acetyl-2-pyridinyl)-2-(trifluoromethyl)benzamide
CID 84591908
4-methyl-2-phenyl-N-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
CID 53080350
[4-[[2-(trifluoromethyl)benzoyl]amino]phenyl]carbamic acid
CID 18543447
2-phenyl-N-pyridin-2-yl-3-(trifluoromethyl)quinoline-8-carboxamide
CID 58154708
N-[phenyl(pyridin-2-yl)methyl]-2-(trifluoromethyl)benzamide
CID 44765282
N'-pyridin-2-yl-2-(trifluoromethyl)benzohydrazide
CID 175943084
N-(4,6-dimethylpyrimidin-2-yl)-2-(trifluoromethyl)benzamide
CID 108808047
N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-(trifluoromethyl)benzamide
CID 49423447
4-fluoro-N-(2-pyridin-4-ylpyrimidin-4-yl)benzamide
CID 3439528
N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)-2-(trifluoromethyl)benzamide
CID 121137096
N-(4-hydroxyphenyl)-2-(trifluoromethyl)benzamide
CID 28739363
2-(trifluoromethyl)-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]benzamide
CID 87570856

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylpyrimidin-4-yl)-2-(trifluoromethyl)benzamide?
The IUPAC name of N-(2-phenylpyrimidin-4-yl)-2-(trifluoromethyl)benzamide (CID 71848765) is N-(2-phenylpyrimidin-4-yl)-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(2-phenylpyrimidin-4-yl)-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-(2-phenylpyrimidin-4-yl)-2-(trifluoromethyl)benzamide is O=C(Nc1ccnc(-c2ccccc2)n1)c1ccccc1C(F)(F)F.
What is the InChIKey of N-(2-phenylpyrimidin-4-yl)-2-(trifluoromethyl)benzamide?
The InChIKey is HHVAMSFGRUXEGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3N3O/c19-18(20,21)14-9-5-4-8-13(14)17(25)24-15-10-11-22-16(23-15)12-6-2-1-3-7-12/h1-11H,(H,22,23,24,25).
What are the key properties of N-(2-phenylpyrimidin-4-yl)-2-(trifluoromethyl)benzamide?
N-(2-phenylpyrimidin-4-yl)-2-(trifluoromethyl)benzamide has a molecular weight of 343.31 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylpyrimidin-4-yl)-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 71848765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).