3-(trifluoromethylamino)benzamide

C8H7F3N2O — CID 150882306

IUPAC3-(trifluoromethylamino)benzamide
SMILESNC(=O)c1cccc(NC(F)(F)F)c1
InChIInChI=1S/C8H7F3N2O/c9-8(10,11)13-6-3-1-2-5(4-6)7(12)14/h1-4,13H,(H2,12,14)
InChIKeyKWGTZHWTFHYSPU-UHFFFAOYSA-N
MW204.15 g/mol
LogP1.72
Rot. Bonds2

About 3-(trifluoromethylamino)benzamide

3-(trifluoromethylamino)benzamide (PubChem CID 150882306) has the molecular formula C8H7F3N2O and a molecular weight of 204.15 g/mol. Its IUPAC name is 3-(trifluoromethylamino)benzamide.

Molecular Properties

Compound Name3-(trifluoromethylamino)benzamide
PubChem CID150882306
Molecular FormulaC8H7F3N2O
Molecular Weight204.15 g/mol
Exact Mass204.05
IUPAC Name3-(trifluoromethylamino)benzamide
SMILESNC(=O)c1cccc(NC(F)(F)F)c1
InChIInChI=1S/C8H7F3N2O/c9-8(10,11)13-6-3-1-2-5(4-6)7(12)14/h1-4,13H,(H2,12,14)
InChIKeyKWGTZHWTFHYSPU-UHFFFAOYSA-N
XLogP1.72
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.15
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

3-(trifluoromethylamino)benzoic acid;hydrofluoride
CID 70504722
3-(methylamino)benzamide
CID 18727714
3-hydrazinylbenzamide;hydrochloride
CID 90487444
ethane;3-(methylamino)benzamide
CID 142071023
3-[(2,2,2-trifluoro-1-phenylethyl)amino]benzamide
CID 107811192
3-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzene-1,3-dicarboxamide
CID 46577065
3-[(3-amino-3-oxopropyl)amino]benzamide
CID 107811145
3-carbamoylbenzoic acid
CID 3014284
3-(sulfamoylamino)benzamide
CID 57051238
3-(cyanoamino)benzamide
CID 19926828
3-N-phenylbenzene-1,3-dicarboxamide;2,2,2-trifluoroacetic acid
CID 122516877
3-[[2-(trifluoromethyl)phenyl]methylamino]benzamide
CID 28650471

Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethylamino)benzamide?
The IUPAC name of 3-(trifluoromethylamino)benzamide (CID 150882306) is 3-(trifluoromethylamino)benzamide.
What is the SMILES notation for 3-(trifluoromethylamino)benzamide?
The canonical SMILES for 3-(trifluoromethylamino)benzamide is NC(=O)c1cccc(NC(F)(F)F)c1.
What is the InChIKey of 3-(trifluoromethylamino)benzamide?
The InChIKey is KWGTZHWTFHYSPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2O/c9-8(10,11)13-6-3-1-2-5(4-6)7(12)14/h1-4,13H,(H2,12,14).
What are the key properties of 3-(trifluoromethylamino)benzamide?
3-(trifluoromethylamino)benzamide has a molecular weight of 204.15 g/mol, XLogP of 1.72, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethylamino)benzamide is sourced from PubChem (CID 150882306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).