3-amino-4-(trifluoromethyl)benzamide

C8H7F3N2O — CID 70566293

IUPAC3-amino-4-(trifluoromethyl)benzamide
SMILESNC(=O)c1ccc(C(F)(F)F)c(N)c1
InChIInChI=1S/C8H7F3N2O/c9-8(10,11)5-2-1-4(7(13)14)3-6(5)12/h1-3H,12H2,(H2,13,14)
InChIKeyFEUJHNUNDBEZBA-UHFFFAOYSA-N
MW204.15 g/mol
LogP1.39
Rot. Bonds1

About 3-amino-4-(trifluoromethyl)benzamide

3-amino-4-(trifluoromethyl)benzamide (PubChem CID 70566293) has the molecular formula C8H7F3N2O and a molecular weight of 204.15 g/mol. Its IUPAC name is 3-amino-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name3-amino-4-(trifluoromethyl)benzamide
PubChem CID70566293
Molecular FormulaC8H7F3N2O
Molecular Weight204.15 g/mol
Exact Mass204.05
IUPAC Name3-amino-4-(trifluoromethyl)benzamide
SMILESNC(=O)c1ccc(C(F)(F)F)c(N)c1
InChIInChI=1S/C8H7F3N2O/c9-8(10,11)5-2-1-4(7(13)14)3-6(5)12/h1-3H,12H2,(H2,13,14)
InChIKeyFEUJHNUNDBEZBA-UHFFFAOYSA-N
XLogP1.39
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.15
LogP ≤ 51.39
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

3,4-bis(trifluoromethyl)benzamide;hydrochloride
CID 174566583
[3-amino-4-(trifluoromethyl)phenyl]-phenylmethanone
CID 10849266
[3-amino-4-(trifluoromethyl)phenyl]-pyridin-4-ylmethanone
CID 134627485
[3-amino-4-(trifluoromethyl)phenyl]-piperidin-1-ylmethanone
CID 138911089
4-(trifluoromethoxy)-3-(trifluoromethyl)benzamide
CID 170999511
4-cyano-3-(trifluoromethyl)benzamide
CID 22284887
3-amino-N-cyclobutyl-4-(trifluoromethyl)benzamide
CID 146047094
4-amino-3-(trifluoromethyl)benzoic acid
CID 90656922
3-[ethoxy(methoxy)methyl]-4-(trifluoromethyl)benzamide
CID 91069270
3-[3-fluoro-4-(trifluoromethyl)phenyl]benzamide
CID 68758850
[3-amino-4-(trifluoromethyl)phenyl]-[(2R)-2-methylpyrrolidin-1-yl]methanone
CID 172649573
3-amino-4-ethylbenzamide
CID 19977641

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(trifluoromethyl)benzamide?
The IUPAC name of 3-amino-4-(trifluoromethyl)benzamide (CID 70566293) is 3-amino-4-(trifluoromethyl)benzamide.
What is the SMILES notation for 3-amino-4-(trifluoromethyl)benzamide?
The canonical SMILES for 3-amino-4-(trifluoromethyl)benzamide is NC(=O)c1ccc(C(F)(F)F)c(N)c1.
What is the InChIKey of 3-amino-4-(trifluoromethyl)benzamide?
The InChIKey is FEUJHNUNDBEZBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2O/c9-8(10,11)5-2-1-4(7(13)14)3-6(5)12/h1-3H,12H2,(H2,13,14).
What are the key properties of 3-amino-4-(trifluoromethyl)benzamide?
3-amino-4-(trifluoromethyl)benzamide has a molecular weight of 204.15 g/mol, XLogP of 1.39, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 70566293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).