2-fluoro-6-[3-(1H-pyrazol-5-yl)phenyl]benzamide

C16H12FN3O — CID 28766633

IUPAC2-fluoro-6-[3-(1H-pyrazol-5-yl)phenyl]benzamide
SMILESNC(=O)c1c(F)cccc1-c1cccc(-c2ccn[nH]2)c1
InChIInChI=1S/C16H12FN3O/c17-13-6-2-5-12(15(13)16(18)21)10-3-1-4-11(9-10)14-7-8-19-20-14/h1-9H,(H2,18,21)(H,19,20)
InChIKeyXDEXTTULWKVLJO-UHFFFAOYSA-N
MW281.29 g/mol
LogP2.98
Rot. Bonds3

About 2-fluoro-6-[3-(1H-pyrazol-5-yl)phenyl]benzamide

2-fluoro-6-[3-(1H-pyrazol-5-yl)phenyl]benzamide (PubChem CID 28766633) has the molecular formula C16H12FN3O and a molecular weight of 281.29 g/mol. Its IUPAC name is 2-fluoro-6-[3-(1H-pyrazol-5-yl)phenyl]benzamide.

Molecular Properties

Compound Name2-fluoro-6-[3-(1H-pyrazol-5-yl)phenyl]benzamide
PubChem CID28766633
Molecular FormulaC16H12FN3O
Molecular Weight281.29 g/mol
Exact Mass281.10
IUPAC Name2-fluoro-6-[3-(1H-pyrazol-5-yl)phenyl]benzamide
SMILESNC(=O)c1c(F)cccc1-c1cccc(-c2ccn[nH]2)c1
InChIInChI=1S/C16H12FN3O/c17-13-6-2-5-12(15(13)16(18)21)10-3-1-4-11(9-10)14-7-8-19-20-14/h1-9H,(H2,18,21)(H,19,20)
InChIKeyXDEXTTULWKVLJO-UHFFFAOYSA-N
XLogP2.98
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.29
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[3-(1H-pyrazol-5-yl)phenyl]benzamide?
The IUPAC name of 2-fluoro-6-[3-(1H-pyrazol-5-yl)phenyl]benzamide (CID 28766633) is 2-fluoro-6-[3-(1H-pyrazol-5-yl)phenyl]benzamide.
What is the SMILES notation for 2-fluoro-6-[3-(1H-pyrazol-5-yl)phenyl]benzamide?
The canonical SMILES for 2-fluoro-6-[3-(1H-pyrazol-5-yl)phenyl]benzamide is NC(=O)c1c(F)cccc1-c1cccc(-c2ccn[nH]2)c1.
What is the InChIKey of 2-fluoro-6-[3-(1H-pyrazol-5-yl)phenyl]benzamide?
The InChIKey is XDEXTTULWKVLJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3O/c17-13-6-2-5-12(15(13)16(18)21)10-3-1-4-11(9-10)14-7-8-19-20-14/h1-9H,(H2,18,21)(H,19,20).
What are the key properties of 2-fluoro-6-[3-(1H-pyrazol-5-yl)phenyl]benzamide?
2-fluoro-6-[3-(1H-pyrazol-5-yl)phenyl]benzamide has a molecular weight of 281.29 g/mol, XLogP of 2.98, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[3-(1H-pyrazol-5-yl)phenyl]benzamide is sourced from PubChem (CID 28766633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).