4-fluoro-N-pyrimidin-2-ylbenzamide

C11H8FN3O — CID 797393

IUPAC4-fluoro-N-pyrimidin-2-ylbenzamide
SMILESO=C(Nc1ncccn1)c1ccc(F)cc1
InChIInChI=1S/C11H8FN3O/c12-9-4-2-8(3-5-9)10(16)15-11-13-6-1-7-14-11/h1-7H,(H,13,14,15,16)
InChIKeyFHTXXOOGGRMXQS-UHFFFAOYSA-N
MW217.20 g/mol
LogP1.87
Rot. Bonds2

About 4-fluoro-N-pyrimidin-2-ylbenzamide

4-fluoro-N-pyrimidin-2-ylbenzamide (PubChem CID 797393) has the molecular formula C11H8FN3O and a molecular weight of 217.20 g/mol. Its IUPAC name is 4-fluoro-N-pyrimidin-2-ylbenzamide.

Molecular Properties

Compound Name4-fluoro-N-pyrimidin-2-ylbenzamide
PubChem CID797393
Molecular FormulaC11H8FN3O
Molecular Weight217.20 g/mol
Exact Mass217.07
IUPAC Name4-fluoro-N-pyrimidin-2-ylbenzamide
SMILESO=C(Nc1ncccn1)c1ccc(F)cc1
InChIInChI=1S/C11H8FN3O/c12-9-4-2-8(3-5-9)10(16)15-11-13-6-1-7-14-11/h1-7H,(H,13,14,15,16)
InChIKeyFHTXXOOGGRMXQS-UHFFFAOYSA-N
XLogP1.87
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.20
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-pyrimidin-2-ylbenzamide
CID 638481
N-pyrimidin-2-ylbenzamide;silver
CID 175574792
4-fluoro-2-methyl-N-pyrimidin-2-ylbenzamide
CID 115745693
4-fluoro-N-(2-methyl-3-pyridinyl)benzamide
CID 79041653
1-(4-fluorophenyl)-3-pyrimidin-2-ylurea
CID 4066669
(E)-but-2-enedioic acid;N-pyrimidin-2-ylbenzamide
CID 162326925
N-pyrimidin-2-yl-2H-benzotriazole-5-carboxamide
CID 29368084
2,3,4,5,6-pentafluoro-N-pyrimidin-2-ylbenzamide
CID 5198526
6-(methylamino)-N-pyrimidin-2-ylpyridine-3-carboxamide
CID 62172274
N-pyrimidin-2-yl-2,3-dihydro-1H-indole-5-carboxamide
CID 43142516
4-fluoro-N-(2-pyridin-3-ylpyrimidin-5-yl)benzamide
CID 137419125
4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-pyrimidin-2-ylbenzamide
CID 108796607

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-pyrimidin-2-ylbenzamide?
The IUPAC name of 4-fluoro-N-pyrimidin-2-ylbenzamide (CID 797393) is 4-fluoro-N-pyrimidin-2-ylbenzamide.
What is the SMILES notation for 4-fluoro-N-pyrimidin-2-ylbenzamide?
The canonical SMILES for 4-fluoro-N-pyrimidin-2-ylbenzamide is O=C(Nc1ncccn1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-pyrimidin-2-ylbenzamide?
The InChIKey is FHTXXOOGGRMXQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FN3O/c12-9-4-2-8(3-5-9)10(16)15-11-13-6-1-7-14-11/h1-7H,(H,13,14,15,16).
What are the key properties of 4-fluoro-N-pyrimidin-2-ylbenzamide?
4-fluoro-N-pyrimidin-2-ylbenzamide has a molecular weight of 217.20 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-pyrimidin-2-ylbenzamide is sourced from PubChem (CID 797393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).