N-(4-fluorophenyl)-4-phenylpyrimidine-5-carboxamide

C17H12FN3O — CID 110858718

IUPACN-(4-fluorophenyl)-4-phenylpyrimidine-5-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1cncnc1-c1ccccc1
InChIInChI=1S/C17H12FN3O/c18-13-6-8-14(9-7-13)21-17(22)15-10-19-11-20-16(15)12-4-2-1-3-5-12/h1-11H,(H,21,22)
InChIKeyZTMZXHMRRDCAGE-UHFFFAOYSA-N
MW293.30 g/mol
LogP3.54
Rot. Bonds3

About N-(4-fluorophenyl)-4-phenylpyrimidine-5-carboxamide

N-(4-fluorophenyl)-4-phenylpyrimidine-5-carboxamide (PubChem CID 110858718) has the molecular formula C17H12FN3O and a molecular weight of 293.30 g/mol. Its IUPAC name is N-(4-fluorophenyl)-4-phenylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-4-phenylpyrimidine-5-carboxamide
PubChem CID110858718
Molecular FormulaC17H12FN3O
Molecular Weight293.30 g/mol
Exact Mass293.10
IUPAC NameN-(4-fluorophenyl)-4-phenylpyrimidine-5-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1cncnc1-c1ccccc1
InChIInChI=1S/C17H12FN3O/c18-13-6-8-14(9-7-13)21-17(22)15-10-19-11-20-16(15)12-4-2-1-3-5-12/h1-11H,(H,21,22)
InChIKeyZTMZXHMRRDCAGE-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-acetylphenyl)-4-phenylpyrimidine-5-carboxamide
CID 110861087
N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-4-phenylpyrimidine-5-carboxamide
CID 75400675
4-phenylpyrimidine-5-carboxamide
CID 160993699
7-[(4-phenylpyrimidine-5-carbonyl)amino]-3,4-dihydro-2H-quinoline-1-carboxamide
CID 154861668
1-[4-(4-fluorophenyl)pyrimidin-5-yl]-2,2-dimethylpropan-1-one
CID 117063432
4-[(4-phenylpyrimidine-5-carbonyl)amino]pentanoic acid
CID 120534830
3-methyl-4-[(4-phenylpyrimidine-5-carbonyl)amino]butanoic acid
CID 120537018
2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-phenylbenzamide
CID 36704097
N-(4-methylphenyl)-2-phenyl-4-pyridin-4-ylpyrimidine-5-carboxamide
CID 53143495
N,4-diphenylpyridine-3-carboxamide
CID 13115140
2-[[2-[(4-fluorophenyl)carbamoyl]phenyl]carbamoyl]benzoic acid
CID 982173
N-[4-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]phenyl]benzamide
CID 73388461

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-4-phenylpyrimidine-5-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-4-phenylpyrimidine-5-carboxamide (CID 110858718) is N-(4-fluorophenyl)-4-phenylpyrimidine-5-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-4-phenylpyrimidine-5-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-4-phenylpyrimidine-5-carboxamide is O=C(Nc1ccc(F)cc1)c1cncnc1-c1ccccc1.
What is the InChIKey of N-(4-fluorophenyl)-4-phenylpyrimidine-5-carboxamide?
The InChIKey is ZTMZXHMRRDCAGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN3O/c18-13-6-8-14(9-7-13)21-17(22)15-10-19-11-20-16(15)12-4-2-1-3-5-12/h1-11H,(H,21,22).
What are the key properties of N-(4-fluorophenyl)-4-phenylpyrimidine-5-carboxamide?
N-(4-fluorophenyl)-4-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-(4-fluorophenyl)-4-phenylpyrimidine-5-carboxamide is sourced from PubChem (CID 110858718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).