N-(3-fluorophenyl)-2-phenylpyrimidine-5-carboxamide

C17H12FN3O — CID 47779233

IUPACN-(3-fluorophenyl)-2-phenylpyrimidine-5-carboxamide
SMILESO=C(Nc1cccc(F)c1)c1cnc(-c2ccccc2)nc1
InChIInChI=1S/C17H12FN3O/c18-14-7-4-8-15(9-14)21-17(22)13-10-19-16(20-11-13)12-5-2-1-3-6-12/h1-11H,(H,21,22)
InChIKeyDAIASOLSYJRABW-UHFFFAOYSA-N
MW293.30 g/mol
LogP3.54
Rot. Bonds3

About N-(3-fluorophenyl)-2-phenylpyrimidine-5-carboxamide

N-(3-fluorophenyl)-2-phenylpyrimidine-5-carboxamide (PubChem CID 47779233) has the molecular formula C17H12FN3O and a molecular weight of 293.30 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-phenylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-phenylpyrimidine-5-carboxamide
PubChem CID47779233
Molecular FormulaC17H12FN3O
Molecular Weight293.30 g/mol
Exact Mass293.10
IUPAC NameN-(3-fluorophenyl)-2-phenylpyrimidine-5-carboxamide
SMILESO=C(Nc1cccc(F)c1)c1cnc(-c2ccccc2)nc1
InChIInChI=1S/C17H12FN3O/c18-14-7-4-8-15(9-14)21-17(22)13-10-19-16(20-11-13)12-5-2-1-3-6-12/h1-11H,(H,21,22)
InChIKeyDAIASOLSYJRABW-UHFFFAOYSA-N
XLogP3.54
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.30
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methylphenyl)-2-phenylpyrimidine-5-carboxamide
CID 3634035
6-(3-fluorophenyl)-N-phenylpyridine-3-carboxamide
CID 53111120
N-(3-fluorophenyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 24685793
5-N-(3-fluorophenyl)pyridine-2,5-dicarboxamide
CID 47460385
2-(4-chloroanilino)-N-(3-fluorophenyl)pyrimidine-5-carboxamide
CID 109268903
2-(3-fluoroanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide
CID 109265542
2-(2,4-difluoroanilino)-N-(3-fluorophenyl)pyrimidine-5-carboxamide
CID 109270367
N-(3-fluorophenyl)-2-[4-(trifluoromethyl)anilino]pyrimidine-5-carboxamide
CID 109270045
N-(3-fluorophenyl)-4-(2-phenoxyethoxy)benzamide
CID 54788417
N-(3,5-dimethylphenyl)-2-(3-fluoroanilino)pyrimidine-5-carboxamide
CID 109266885
2-(3-chloro-4-fluoroanilino)-N-(3-fluorophenyl)pyrimidine-5-carboxamide
CID 109269249
N-[4-(3-fluoroanilino)phenyl]benzamide
CID 112988934

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-phenylpyrimidine-5-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-2-phenylpyrimidine-5-carboxamide (CID 47779233) is N-(3-fluorophenyl)-2-phenylpyrimidine-5-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-phenylpyrimidine-5-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-2-phenylpyrimidine-5-carboxamide is O=C(Nc1cccc(F)c1)c1cnc(-c2ccccc2)nc1.
What is the InChIKey of N-(3-fluorophenyl)-2-phenylpyrimidine-5-carboxamide?
The InChIKey is DAIASOLSYJRABW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN3O/c18-14-7-4-8-15(9-14)21-17(22)13-10-19-16(20-11-13)12-5-2-1-3-6-12/h1-11H,(H,21,22).
What are the key properties of N-(3-fluorophenyl)-2-phenylpyrimidine-5-carboxamide?
N-(3-fluorophenyl)-2-phenylpyrimidine-5-carboxamide has a molecular weight of 293.30 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-phenylpyrimidine-5-carboxamide is sourced from PubChem (CID 47779233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).