6-amino-3-chloro-2-(trifluoromethoxy)benzamide

C8H6ClF3N2O2 — CID 131280730

IUPAC6-amino-3-chloro-2-(trifluoromethoxy)benzamide
SMILESNC(=O)c1c(N)ccc(Cl)c1OC(F)(F)F
InChIInChI=1S/C8H6ClF3N2O2/c9-3-1-2-4(13)5(7(14)15)6(3)16-8(10,11)12/h1-2H,13H2,(H2,14,15)
InChIKeyIYPVVGKGRFAPQB-UHFFFAOYSA-N
MW254.59 g/mol
LogP1.92
Rot. Bonds2

About 6-amino-3-chloro-2-(trifluoromethoxy)benzamide

6-amino-3-chloro-2-(trifluoromethoxy)benzamide (PubChem CID 131280730) has the molecular formula C8H6ClF3N2O2 and a molecular weight of 254.59 g/mol. Its IUPAC name is 6-amino-3-chloro-2-(trifluoromethoxy)benzamide.

Molecular Properties

Compound Name6-amino-3-chloro-2-(trifluoromethoxy)benzamide
PubChem CID131280730
Molecular FormulaC8H6ClF3N2O2
Molecular Weight254.59 g/mol
Exact Mass254.01
IUPAC Name6-amino-3-chloro-2-(trifluoromethoxy)benzamide
SMILESNC(=O)c1c(N)ccc(Cl)c1OC(F)(F)F
InChIInChI=1S/C8H6ClF3N2O2/c9-3-1-2-4(13)5(7(14)15)6(3)16-8(10,11)12/h1-2H,13H2,(H2,14,15)
InChIKeyIYPVVGKGRFAPQB-UHFFFAOYSA-N
XLogP1.92
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.59
LogP ≤ 51.92
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-6-chloro-4-(trifluoromethoxy)benzamide
CID 119001912
2-amino-6-(trifluoromethoxy)benzamide
CID 119018163
2-[2-amino-4-chloro-3-(trifluoromethoxy)phenyl]-2-hydroxyacetic acid
CID 119017776
2-chloro-5-(trifluoromethoxy)benzamide
CID 119004987
1-[6-amino-3-bromo-2-(trifluoromethoxy)phenyl]ethanone
CID 131465353
2-amino-4-chloro-5-(trifluoromethoxy)benzamide
CID 119015619
methyl 3-amino-5-chloro-4-(trifluoromethoxy)benzoate
CID 134645550
4-amino-2-chloro-3-(trifluoromethoxy)benzenethiol
CID 118850976
2-amino-6-fluoro-4-(trifluoromethoxy)benzamide
CID 119008473
3-chloro-2-(trifluoromethoxy)phenol
CID 67274818
3-amino-4-fluoro-2-(trifluoromethoxy)benzamide
CID 131344959
2-amino-4-bromo-6-(trifluoromethoxy)benzamide
CID 119024469

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-chloro-2-(trifluoromethoxy)benzamide?
The IUPAC name of 6-amino-3-chloro-2-(trifluoromethoxy)benzamide (CID 131280730) is 6-amino-3-chloro-2-(trifluoromethoxy)benzamide.
What is the SMILES notation for 6-amino-3-chloro-2-(trifluoromethoxy)benzamide?
The canonical SMILES for 6-amino-3-chloro-2-(trifluoromethoxy)benzamide is NC(=O)c1c(N)ccc(Cl)c1OC(F)(F)F.
What is the InChIKey of 6-amino-3-chloro-2-(trifluoromethoxy)benzamide?
The InChIKey is IYPVVGKGRFAPQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF3N2O2/c9-3-1-2-4(13)5(7(14)15)6(3)16-8(10,11)12/h1-2H,13H2,(H2,14,15).
What are the key properties of 6-amino-3-chloro-2-(trifluoromethoxy)benzamide?
6-amino-3-chloro-2-(trifluoromethoxy)benzamide has a molecular weight of 254.59 g/mol, XLogP of 1.92, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-chloro-2-(trifluoromethoxy)benzamide is sourced from PubChem (CID 131280730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).