2-amino-6-fluoro-4-(trifluoromethoxy)benzamide

C8H6F4N2O2 — CID 119008473

IUPAC2-amino-6-fluoro-4-(trifluoromethoxy)benzamide
SMILESNC(=O)c1c(N)cc(OC(F)(F)F)cc1F
InChIInChI=1S/C8H6F4N2O2/c9-4-1-3(16-8(10,11)12)2-5(13)6(4)7(14)15/h1-2H,13H2,(H2,14,15)
InChIKeyZKUUSHOTIOCDNT-UHFFFAOYSA-N
MW238.14 g/mol
LogP1.41
Rot. Bonds2

About 2-amino-6-fluoro-4-(trifluoromethoxy)benzamide

2-amino-6-fluoro-4-(trifluoromethoxy)benzamide (PubChem CID 119008473) has the molecular formula C8H6F4N2O2 and a molecular weight of 238.14 g/mol. Its IUPAC name is 2-amino-6-fluoro-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound Name2-amino-6-fluoro-4-(trifluoromethoxy)benzamide
PubChem CID119008473
Molecular FormulaC8H6F4N2O2
Molecular Weight238.14 g/mol
Exact Mass238.04
IUPAC Name2-amino-6-fluoro-4-(trifluoromethoxy)benzamide
SMILESNC(=O)c1c(N)cc(OC(F)(F)F)cc1F
InChIInChI=1S/C8H6F4N2O2/c9-4-1-3(16-8(10,11)12)2-5(13)6(4)7(14)15/h1-2H,13H2,(H2,14,15)
InChIKeyZKUUSHOTIOCDNT-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'}

Analyze 2-amino-6-fluoro-4-(trifluoromethoxy)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-6-chloro-4-(trifluoromethoxy)benzamide
CID 119001912
2-amino-6-fluoro-4-(trifluoromethoxy)benzaldehyde
CID 118991858
2-amino-4-bromo-6-(trifluoromethoxy)benzamide
CID 119024469
2-(bromomethyl)-3-fluoro-5-(trifluoromethoxy)aniline
CID 119012318
5-[2,6-difluoro-4-(trifluoromethoxy)phenyl]-2H-triazole-4-carboxamide
CID 169404442
N-[2-amino-4-(trifluoromethoxy)phenyl]acetamide
CID 14836859
2-amino-6-(trifluoromethoxy)benzamide
CID 119018163
6-amino-3-chloro-2-(trifluoromethoxy)benzamide
CID 131280730
1-(2-amino-6-fluoro-4-methoxyphenyl)-2-chloroethanone
CID 171018157
3-chloro-5-(trifluoromethoxy)benzene-1,2-diamine
CID 118807866
2-[3-amino-2-chloro-5-(trifluoromethoxy)phenyl]-2-hydroxyacetic acid
CID 134655883
2-chloro-5-(trifluoromethoxy)benzamide
CID 119004987

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-fluoro-4-(trifluoromethoxy)benzamide?
The IUPAC name of 2-amino-6-fluoro-4-(trifluoromethoxy)benzamide (CID 119008473) is 2-amino-6-fluoro-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for 2-amino-6-fluoro-4-(trifluoromethoxy)benzamide?
The canonical SMILES for 2-amino-6-fluoro-4-(trifluoromethoxy)benzamide is NC(=O)c1c(N)cc(OC(F)(F)F)cc1F.
What is the InChIKey of 2-amino-6-fluoro-4-(trifluoromethoxy)benzamide?
The InChIKey is ZKUUSHOTIOCDNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F4N2O2/c9-4-1-3(16-8(10,11)12)2-5(13)6(4)7(14)15/h1-2H,13H2,(H2,14,15).
What are the key properties of 2-amino-6-fluoro-4-(trifluoromethoxy)benzamide?
2-amino-6-fluoro-4-(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 2-amino-6-fluoro-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 119008473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).