3-fluoro-N-pyrimidin-2-ylbenzamide

C11H8FN3O — CID 821559

IUPAC3-fluoro-N-pyrimidin-2-ylbenzamide
SMILESO=C(Nc1ncccn1)c1cccc(F)c1
InChIInChI=1S/C11H8FN3O/c12-9-4-1-3-8(7-9)10(16)15-11-13-5-2-6-14-11/h1-7H,(H,13,14,15,16)
InChIKeyZEBIRXNMLPFURU-UHFFFAOYSA-N
MW217.20 g/mol
LogP1.87
Rot. Bonds2

About 3-fluoro-N-pyrimidin-2-ylbenzamide

3-fluoro-N-pyrimidin-2-ylbenzamide (PubChem CID 821559) has the molecular formula C11H8FN3O and a molecular weight of 217.20 g/mol. Its IUPAC name is 3-fluoro-N-pyrimidin-2-ylbenzamide.

Molecular Properties

Compound Name3-fluoro-N-pyrimidin-2-ylbenzamide
PubChem CID821559
Molecular FormulaC11H8FN3O
Molecular Weight217.20 g/mol
Exact Mass217.07
IUPAC Name3-fluoro-N-pyrimidin-2-ylbenzamide
SMILESO=C(Nc1ncccn1)c1cccc(F)c1
InChIInChI=1S/C11H8FN3O/c12-9-4-1-3-8(7-9)10(16)15-11-13-5-2-6-14-11/h1-7H,(H,13,14,15,16)
InChIKeyZEBIRXNMLPFURU-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-(pyridin-2-yl)benzamide
CID 219990
Ica-069673
CID 10149311
4-Aminobenzamidopyridine
CID 81976
2-methyl-N-(pyrimidin-2-ylcarbamothioyl)benzamide
CID 802099
N-Benzoyl-N'-(2-pyridinyl)thiourea
CID 708470
2-methyl-N-pyridin-2-ylbenzamide
CID 799062
2-{[2-(Phenylamino)pyrimidin-4-yl]amino}benzamide
CID 23647253
4-[(4-{[3-(Trifluoromethyl)phenyl]amino}pyrimidin-2-Yl)amino]benzamide
CID 60138155
2-methyl-N-(2-pyridin-4-ylpyrimidin-4-yl)benzamide
CID 4436165
2-[4-(2-Methylbenzoyl)-1-piperazinyl]pyrimidine
CID 896524
1-(4-fluorobenzoyl)-3-(3-pyridinyl)-1H-1,2,4-triazol-5-amine
CID 972160
2-(Pyrimidin-2-yl)isoindoline-1,3-dione
CID 660266

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-pyrimidin-2-ylbenzamide?
The IUPAC name of 3-fluoro-N-pyrimidin-2-ylbenzamide (CID 821559) is 3-fluoro-N-pyrimidin-2-ylbenzamide.
What is the SMILES notation for 3-fluoro-N-pyrimidin-2-ylbenzamide?
The canonical SMILES for 3-fluoro-N-pyrimidin-2-ylbenzamide is O=C(Nc1ncccn1)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-pyrimidin-2-ylbenzamide?
The InChIKey is ZEBIRXNMLPFURU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FN3O/c12-9-4-1-3-8(7-9)10(16)15-11-13-5-2-6-14-11/h1-7H,(H,13,14,15,16).
What are the key properties of 3-fluoro-N-pyrimidin-2-ylbenzamide?
3-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 3-fluoro-N-pyrimidin-2-ylbenzamide is sourced from PubChem (CID 821559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).