2-phenyl-4-pyrimidin-4-yl-3-(trifluoromethyl)benzamide

C18H12F3N3O — CID 166653274

IUPAC2-phenyl-4-pyrimidin-4-yl-3-(trifluoromethyl)benzamide
SMILESNC(=O)c1ccc(-c2ccncn2)c(C(F)(F)F)c1-c1ccccc1
InChIInChI=1S/C18H12F3N3O/c19-18(20,21)16-12(14-8-9-23-10-24-14)6-7-13(17(22)25)15(16)11-4-2-1-3-5-11/h1-10H,(H2,22,25)
InChIKeyDXVFSBRMHSRUCM-UHFFFAOYSA-N
MW343.31 g/mol
LogP3.93
Rot. Bonds3

About 2-phenyl-4-pyrimidin-4-yl-3-(trifluoromethyl)benzamide

2-phenyl-4-pyrimidin-4-yl-3-(trifluoromethyl)benzamide (PubChem CID 166653274) has the molecular formula C18H12F3N3O and a molecular weight of 343.31 g/mol. Its IUPAC name is 2-phenyl-4-pyrimidin-4-yl-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-phenyl-4-pyrimidin-4-yl-3-(trifluoromethyl)benzamide
PubChem CID166653274
Molecular FormulaC18H12F3N3O
Molecular Weight343.31 g/mol
Exact Mass343.09
IUPAC Name2-phenyl-4-pyrimidin-4-yl-3-(trifluoromethyl)benzamide
SMILESNC(=O)c1ccc(-c2ccncn2)c(C(F)(F)F)c1-c1ccccc1
InChIInChI=1S/C18H12F3N3O/c19-18(20,21)16-12(14-8-9-23-10-24-14)6-7-13(17(22)25)15(16)11-4-2-1-3-5-11/h1-10H,(H2,22,25)
InChIKeyDXVFSBRMHSRUCM-UHFFFAOYSA-N
XLogP3.93
TPSA68.87 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 ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(4-methylsulfonylphenyl)-5-phenyl-3-pyrimidin-4-yl-2-(trifluoromethyl)naphthalene-1-sulfonic acid
CID 25002957
3-pyrimidin-4-ylbenzamide
CID 67036490
N-methyl-2-pyrimidin-4-ylbenzamide
CID 68804434
difluoromethyl 2-pyrimidin-4-ylbenzoate
CID 154928192
2-phenylbenzamide;2,2,2-trifluoroacetic acid
CID 67160180
4-phenylpyrimidine-5-carboxamide
CID 160993699
3-phenyl-2-pyrimidin-2-ylpyridine-4-carboxamide
CID 146303800
3-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)-5-pyrimidin-4-yl-6-(trifluoromethyl)benzenesulfonamide
CID 87790963
benzoic acid;pyrimidine-4-carboxamide
CID 174949341
2,3-diphenylbenzamide;phosphoric acid
CID 68745056
2-(methylamino)-3-phenyl-4-(trifluoromethyl)benzamide
CID 170343404
4-(9,10-diphenyl-6-pyrimidin-4-ylanthracen-2-yl)pyrimidine
CID 59722147

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-pyrimidin-4-yl-3-(trifluoromethyl)benzamide?
The IUPAC name of 2-phenyl-4-pyrimidin-4-yl-3-(trifluoromethyl)benzamide (CID 166653274) is 2-phenyl-4-pyrimidin-4-yl-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-phenyl-4-pyrimidin-4-yl-3-(trifluoromethyl)benzamide?
The canonical SMILES for 2-phenyl-4-pyrimidin-4-yl-3-(trifluoromethyl)benzamide is NC(=O)c1ccc(-c2ccncn2)c(C(F)(F)F)c1-c1ccccc1.
What is the InChIKey of 2-phenyl-4-pyrimidin-4-yl-3-(trifluoromethyl)benzamide?
The InChIKey is DXVFSBRMHSRUCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3N3O/c19-18(20,21)16-12(14-8-9-23-10-24-14)6-7-13(17(22)25)15(16)11-4-2-1-3-5-11/h1-10H,(H2,22,25).
What are the key properties of 2-phenyl-4-pyrimidin-4-yl-3-(trifluoromethyl)benzamide?
2-phenyl-4-pyrimidin-4-yl-3-(trifluoromethyl)benzamide has a molecular weight of 343.31 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-pyrimidin-4-yl-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 166653274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).