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

C17H12FN3O — CID 16666417

IUPAC2-(2-fluorophenyl)-N-phenylpyrimidine-5-carboxamide
SMILESO=C(Nc1ccccc1)c1cnc(-c2ccccc2F)nc1
InChIInChI=1S/C17H12FN3O/c18-15-9-5-4-8-14(15)16-19-10-12(11-20-16)17(22)21-13-6-2-1-3-7-13/h1-11H,(H,21,22)
InChIKeyAFIQCJGNOINCFJ-UHFFFAOYSA-N
MW293.30 g/mol
LogP3.54
Rot. Bonds3

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

2-(2-fluorophenyl)-N-phenylpyrimidine-5-carboxamide (PubChem CID 16666417) has the molecular formula C17H12FN3O and a molecular weight of 293.30 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-N-phenylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(2-fluorophenyl)-N-phenylpyrimidine-5-carboxamide
PubChem CID16666417
Molecular FormulaC17H12FN3O
Molecular Weight293.30 g/mol
Exact Mass293.10
IUPAC Name2-(2-fluorophenyl)-N-phenylpyrimidine-5-carboxamide
SMILESO=C(Nc1ccccc1)c1cnc(-c2ccccc2F)nc1
InChIInChI=1S/C17H12FN3O/c18-15-9-5-4-8-14(15)16-19-10-12(11-20-16)17(22)21-13-6-2-1-3-7-13/h1-11H,(H,21,22)
InChIKeyAFIQCJGNOINCFJ-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

2-(2-fluoroanilino)-N-phenylpyrimidine-5-carboxamide
CID 109265090
2-[(2-fluorophenyl)methylamino]-N-phenylpyrimidine-5-carboxamide
CID 109257045
N-(3-fluorophenyl)-2-phenylpyrimidine-5-carboxamide
CID 47779233
6-(2-fluorophenyl)-N-(4-propylphenyl)pyridine-3-carboxamide
CID 58639533
5-(2-fluorophenyl)-N-phenyl-1,2-oxazole-3-carboxamide
CID 46480950
6-(3-fluorophenyl)-N-phenylpyridine-3-carboxamide
CID 53111120
2-anilino-N-(2,3,4-trifluorophenyl)pyrimidine-5-carboxamide
CID 109265275
molecular hydrogen;N-phenylbenzamide
CID 145238042
N'-[2-(2-fluorophenyl)pyrimidin-5-yl]ethane-1,2-diamine
CID 117212334
N-(3-methylphenyl)-2-phenylpyrimidine-5-carboxamide
CID 3634035
N-phenyl-2-(4-phenylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109261157
6-methoxy-N-phenylpyridine-3-carboxamide
CID 44512975

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-N-phenylpyrimidine-5-carboxamide?
The IUPAC name of 2-(2-fluorophenyl)-N-phenylpyrimidine-5-carboxamide (CID 16666417) is 2-(2-fluorophenyl)-N-phenylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-(2-fluorophenyl)-N-phenylpyrimidine-5-carboxamide?
The canonical SMILES for 2-(2-fluorophenyl)-N-phenylpyrimidine-5-carboxamide is O=C(Nc1ccccc1)c1cnc(-c2ccccc2F)nc1.
What is the InChIKey of 2-(2-fluorophenyl)-N-phenylpyrimidine-5-carboxamide?
The InChIKey is AFIQCJGNOINCFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN3O/c18-15-9-5-4-8-14(15)16-19-10-12(11-20-16)17(22)21-13-6-2-1-3-7-13/h1-11H,(H,21,22).
What are the key properties of 2-(2-fluorophenyl)-N-phenylpyrimidine-5-carboxamide?
2-(2-fluorophenyl)-N-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 2-(2-fluorophenyl)-N-phenylpyrimidine-5-carboxamide is sourced from PubChem (CID 16666417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).