3-amino-4-fluoro-2-(trifluoromethoxy)benzamide

C8H6F4N2O2 — CID 131344959

IUPAC3-amino-4-fluoro-2-(trifluoromethoxy)benzamide
SMILESNC(=O)c1ccc(F)c(N)c1OC(F)(F)F
InChIInChI=1S/C8H6F4N2O2/c9-4-2-1-3(7(14)15)6(5(4)13)16-8(10,11)12/h1-2H,13H2,(H2,14,15)
InChIKeyXBMZQNFGLHMDQM-UHFFFAOYSA-N
MW238.14 g/mol
LogP1.41
Rot. Bonds2

About 3-amino-4-fluoro-2-(trifluoromethoxy)benzamide

3-amino-4-fluoro-2-(trifluoromethoxy)benzamide (PubChem CID 131344959) has the molecular formula C8H6F4N2O2 and a molecular weight of 238.14 g/mol. Its IUPAC name is 3-amino-4-fluoro-2-(trifluoromethoxy)benzamide.

Molecular Properties

Compound Name3-amino-4-fluoro-2-(trifluoromethoxy)benzamide
PubChem CID131344959
Molecular FormulaC8H6F4N2O2
Molecular Weight238.14 g/mol
Exact Mass238.04
IUPAC Name3-amino-4-fluoro-2-(trifluoromethoxy)benzamide
SMILESNC(=O)c1ccc(F)c(N)c1OC(F)(F)F
InChIInChI=1S/C8H6F4N2O2/c9-4-2-1-3(7(14)15)6(5(4)13)16-8(10,11)12/h1-2H,13H2,(H2,14,15)
InChIKeyXBMZQNFGLHMDQM-UHFFFAOYSA-N
XLogP1.41
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.14
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-fluoro-3-(trifluoromethyl)benzamide
CID 118998970
4-fluoro-3-(trifluoromethoxy)benzene-1,2-diamine
CID 99770322
1-[3,4-difluoro-2-(trifluoromethoxy)phenyl]ethanone
CID 171005731
2-amino-3-bromo-4-fluorobenzamide
CID 139748040
2,3-diaminobenzene-1,4-dicarboxamide
CID 142757766
4-sulfanyl-2-(trifluoromethoxy)benzamide
CID 170999331
2-amino-6-fluoro-3-(trifluoromethoxy)benzoic acid
CID 119018842
6-amino-3-chloro-2-(trifluoromethoxy)benzamide
CID 131280730
4-amino-2-bromo-3-(trifluoromethoxy)benzoic acid
CID 118834468
ethyl 3-cyano-4-fluoro-2-(trifluoromethoxy)benzoate
CID 134641544
2-cyclobutyloxy-3,4-difluorobenzamide
CID 21191364
2-ethyl-4-(trifluoromethoxy)benzamide
CID 141054178

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-fluoro-2-(trifluoromethoxy)benzamide?
The IUPAC name of 3-amino-4-fluoro-2-(trifluoromethoxy)benzamide (CID 131344959) is 3-amino-4-fluoro-2-(trifluoromethoxy)benzamide.
What is the SMILES notation for 3-amino-4-fluoro-2-(trifluoromethoxy)benzamide?
The canonical SMILES for 3-amino-4-fluoro-2-(trifluoromethoxy)benzamide is NC(=O)c1ccc(F)c(N)c1OC(F)(F)F.
What is the InChIKey of 3-amino-4-fluoro-2-(trifluoromethoxy)benzamide?
The InChIKey is XBMZQNFGLHMDQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F4N2O2/c9-4-2-1-3(7(14)15)6(5(4)13)16-8(10,11)12/h1-2H,13H2,(H2,14,15).
What are the key properties of 3-amino-4-fluoro-2-(trifluoromethoxy)benzamide?
3-amino-4-fluoro-2-(trifluoromethoxy)benzamide has a molecular weight of 238.14 g/mol, XLogP of 1.41, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-fluoro-2-(trifluoromethoxy)benzamide is sourced from PubChem (CID 131344959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).