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

C8H6F4N2O — CID 118998970

IUPAC2-amino-4-fluoro-3-(trifluoromethyl)benzamide
SMILESNC(=O)c1ccc(F)c(C(F)(F)F)c1N
InChIInChI=1S/C8H6F4N2O/c9-4-2-1-3(7(14)15)6(13)5(4)8(10,11)12/h1-2H,13H2,(H2,14,15)
InChIKeyUDPBFNIXCVPYLO-UHFFFAOYSA-N
MW222.14 g/mol
LogP1.53
Rot. Bonds1

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

2-amino-4-fluoro-3-(trifluoromethyl)benzamide (PubChem CID 118998970) has the molecular formula C8H6F4N2O and a molecular weight of 222.14 g/mol. Its IUPAC name is 2-amino-4-fluoro-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-amino-4-fluoro-3-(trifluoromethyl)benzamide
PubChem CID118998970
Molecular FormulaC8H6F4N2O
Molecular Weight222.14 g/mol
Exact Mass222.04
IUPAC Name2-amino-4-fluoro-3-(trifluoromethyl)benzamide
SMILESNC(=O)c1ccc(F)c(C(F)(F)F)c1N
InChIInChI=1S/C8H6F4N2O/c9-4-2-1-3(7(14)15)6(13)5(4)8(10,11)12/h1-2H,13H2,(H2,14,15)
InChIKeyUDPBFNIXCVPYLO-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

3-fluoro-6-prop-1-en-2-yl-2-(trifluoromethyl)aniline
CID 165144308
3-fluoro-2-(trifluoromethyl)benzamide
CID 2774778
2-amino-3-bromo-4-fluorobenzamide
CID 139748040
3-cyano-4-fluoro-2-(trifluoromethyl)benzamide
CID 171015989
2,3-diaminobenzene-1,4-dicarboxamide
CID 142757766
3-amino-4-fluoro-2-(trifluoromethoxy)benzamide
CID 131344959
4-hydroxy-2,3-bis(trifluoromethyl)benzamide
CID 118854529
3-fluoro-2,5-bis(trifluoromethyl)benzamide
CID 118998212
2-fluoro-5-(trifluoromethyl)benzamide;hydrobromide
CID 68534257
4-amino-2-ethyl-3-(trifluoromethyl)benzamide
CID 174774948
4-chloro-2-(trifluoromethyl)benzamide;dihydrochloride
CID 22563807
4-amino-2-ethyl-3-(trifluoromethyl)benzamide;hydrochloride
CID 174774947

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-fluoro-3-(trifluoromethyl)benzamide?
The IUPAC name of 2-amino-4-fluoro-3-(trifluoromethyl)benzamide (CID 118998970) is 2-amino-4-fluoro-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-amino-4-fluoro-3-(trifluoromethyl)benzamide?
The canonical SMILES for 2-amino-4-fluoro-3-(trifluoromethyl)benzamide is NC(=O)c1ccc(F)c(C(F)(F)F)c1N.
What is the InChIKey of 2-amino-4-fluoro-3-(trifluoromethyl)benzamide?
The InChIKey is UDPBFNIXCVPYLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F4N2O/c9-4-2-1-3(7(14)15)6(13)5(4)8(10,11)12/h1-2H,13H2,(H2,14,15).
What are the key properties of 2-amino-4-fluoro-3-(trifluoromethyl)benzamide?
2-amino-4-fluoro-3-(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 2-amino-4-fluoro-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 118998970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).