5-amino-2-(2,6-difluorophenyl)benzamide

C13H10F2N2O — CID 175316606

IUPAC5-amino-2-(2,6-difluorophenyl)benzamide
SMILESNC(=O)c1cc(N)ccc1-c1c(F)cccc1F
InChIInChI=1S/C13H10F2N2O/c14-10-2-1-3-11(15)12(10)8-5-4-7(16)6-9(8)13(17)18/h1-6H,16H2,(H2,17,18)
InChIKeyGXIVWWWLPASDCQ-UHFFFAOYSA-N
MW248.23 g/mol
LogP2.31
Rot. Bonds2

About 5-amino-2-(2,6-difluorophenyl)benzamide

5-amino-2-(2,6-difluorophenyl)benzamide (PubChem CID 175316606) has the molecular formula C13H10F2N2O and a molecular weight of 248.23 g/mol. Its IUPAC name is 5-amino-2-(2,6-difluorophenyl)benzamide.

Molecular Properties

Compound Name5-amino-2-(2,6-difluorophenyl)benzamide
PubChem CID175316606
Molecular FormulaC13H10F2N2O
Molecular Weight248.23 g/mol
Exact Mass248.08
IUPAC Name5-amino-2-(2,6-difluorophenyl)benzamide
SMILESNC(=O)c1cc(N)ccc1-c1c(F)cccc1F
InChIInChI=1S/C13H10F2N2O/c14-10-2-1-3-11(15)12(10)8-5-4-7(16)6-9(8)13(17)18/h1-6H,16H2,(H2,17,18)
InChIKeyGXIVWWWLPASDCQ-UHFFFAOYSA-N
XLogP2.31
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.23
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-2-(2-aminophenyl)benzamide
CID 68784077
5-amino-2-(4-aminophenyl)benzamide
CID 68787804
5-amino-2-[3-(trifluoromethyl)phenyl]benzamide
CID 174888951
5-amino-2-[4-(trifluoromethyl)phenyl]benzamide
CID 68829793
(2,5-diaminophenyl)-(2-fluorophenyl)methanone
CID 526486
4-amino-2-(2-bromo-6-fluoroanilino)benzamide
CID 107596749
2-fluoro-3-(2,3,4,5,6-pentafluorophenyl)benzamide
CID 134617305
5-amino-2-[2-(2-fluorophenyl)ethylamino]benzamide
CID 61307952
2-fluorobenzamide;dihydrochloride
CID 22563899
5-amino-2-(4-amino-1,3-dioxoisoindol-2-yl)benzamide
CID 139787327
5-amino-2-[2-(4-amino-2-carboxyphenyl)-3-[2,3-bis(4-amino-2-carboxyphenyl)phenoxy]phenyl]benzoic acid
CID 141406920
1-[2-(2,3-difluorophenyl)-3-methylphenyl]ethanone
CID 68833018

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(2,6-difluorophenyl)benzamide?
The IUPAC name of 5-amino-2-(2,6-difluorophenyl)benzamide (CID 175316606) is 5-amino-2-(2,6-difluorophenyl)benzamide.
What is the SMILES notation for 5-amino-2-(2,6-difluorophenyl)benzamide?
The canonical SMILES for 5-amino-2-(2,6-difluorophenyl)benzamide is NC(=O)c1cc(N)ccc1-c1c(F)cccc1F.
What is the InChIKey of 5-amino-2-(2,6-difluorophenyl)benzamide?
The InChIKey is GXIVWWWLPASDCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2N2O/c14-10-2-1-3-11(15)12(10)8-5-4-7(16)6-9(8)13(17)18/h1-6H,16H2,(H2,17,18).
What are the key properties of 5-amino-2-(2,6-difluorophenyl)benzamide?
5-amino-2-(2,6-difluorophenyl)benzamide has a molecular weight of 248.23 g/mol, XLogP of 2.31, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(2,6-difluorophenyl)benzamide is sourced from PubChem (CID 175316606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).