4-amino-5-fluoro-2-(trifluoromethyl)benzamide

C8H6F4N2O — CID 118823151

IUPAC4-amino-5-fluoro-2-(trifluoromethyl)benzamide
SMILESNC(=O)c1cc(F)c(N)cc1C(F)(F)F
InChIInChI=1S/C8H6F4N2O/c9-5-1-3(7(14)15)4(2-6(5)13)8(10,11)12/h1-2H,13H2,(H2,14,15)
InChIKeyMXXRZYBPAHSXSO-UHFFFAOYSA-N
MW222.14 g/mol
LogP1.53
Rot. Bonds1

About 4-amino-5-fluoro-2-(trifluoromethyl)benzamide

4-amino-5-fluoro-2-(trifluoromethyl)benzamide (PubChem CID 118823151) has the molecular formula C8H6F4N2O and a molecular weight of 222.14 g/mol. Its IUPAC name is 4-amino-5-fluoro-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-amino-5-fluoro-2-(trifluoromethyl)benzamide
PubChem CID118823151
Molecular FormulaC8H6F4N2O
Molecular Weight222.14 g/mol
Exact Mass222.04
IUPAC Name4-amino-5-fluoro-2-(trifluoromethyl)benzamide
SMILESNC(=O)c1cc(F)c(N)cc1C(F)(F)F
InChIInChI=1S/C8H6F4N2O/c9-5-1-3(7(14)15)4(2-6(5)13)8(10,11)12/h1-2H,13H2,(H2,14,15)
InChIKeyMXXRZYBPAHSXSO-UHFFFAOYSA-N
XLogP1.53
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.14
LogP ≤ 51.53
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-bromo-2,4-bis(trifluoromethyl)benzamide
CID 134640615
2-amino-4,5-difluorobenzamide
CID 16640510
4-chloro-2-(trifluoromethyl)benzamide;dihydrochloride
CID 22563807
4-amino-5-fluoro-2-methoxybenzamide
CID 124706175
4-formyl-2,5-bis(trifluoromethyl)benzamide
CID 119008889
5-amino-2-chloro-4-(trifluoromethyl)benzamide
CID 131460554
5-chloro-2-fluoro-4-(trifluoromethyl)benzamide
CID 168990948
5-amino-4-fluoro-2-(trifluoromethyl)phenol
CID 130766695
2-fluoro-4-prop-1-ynyl-5-(trifluoromethyl)aniline
CID 163361305
4-cyano-5-iodo-2-(trifluoromethyl)benzamide
CID 171024844
5-amino-4-fluoro-2-methoxybenzamide;hydrochloride
CID 86711464
[2-amino-4,5-bis(trifluoromethyl)phenyl]methanol
CID 119022514

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-fluoro-2-(trifluoromethyl)benzamide?
The IUPAC name of 4-amino-5-fluoro-2-(trifluoromethyl)benzamide (CID 118823151) is 4-amino-5-fluoro-2-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-amino-5-fluoro-2-(trifluoromethyl)benzamide?
The canonical SMILES for 4-amino-5-fluoro-2-(trifluoromethyl)benzamide is NC(=O)c1cc(F)c(N)cc1C(F)(F)F.
What is the InChIKey of 4-amino-5-fluoro-2-(trifluoromethyl)benzamide?
The InChIKey is MXXRZYBPAHSXSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F4N2O/c9-5-1-3(7(14)15)4(2-6(5)13)8(10,11)12/h1-2H,13H2,(H2,14,15).
What are the key properties of 4-amino-5-fluoro-2-(trifluoromethyl)benzamide?
4-amino-5-fluoro-2-(trifluoromethyl)benzamide has a molecular weight of 222.14 g/mol, XLogP of 1.53, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-fluoro-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 118823151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).