3-[(2,2,2-trifluoro-1-phenylethyl)amino]benzamide

C15H13F3N2O — CID 107811192

IUPAC3-[(2,2,2-trifluoro-1-phenylethyl)amino]benzamide
SMILESNC(=O)c1cccc(NC(c2ccccc2)C(F)(F)F)c1
InChIInChI=1S/C15H13F3N2O/c16-15(17,18)13(10-5-2-1-3-6-10)20-12-8-4-7-11(9-12)14(19)21/h1-9,13,20H,(H2,19,21)
InChIKeyDCCONKFKXURIRS-UHFFFAOYSA-N
MW294.28 g/mol
LogP3.50
Rot. Bonds4

About 3-[(2,2,2-trifluoro-1-phenylethyl)amino]benzamide

3-[(2,2,2-trifluoro-1-phenylethyl)amino]benzamide (PubChem CID 107811192) has the molecular formula C15H13F3N2O and a molecular weight of 294.28 g/mol. Its IUPAC name is 3-[(2,2,2-trifluoro-1-phenylethyl)amino]benzamide.

Molecular Properties

Compound Name3-[(2,2,2-trifluoro-1-phenylethyl)amino]benzamide
PubChem CID107811192
Molecular FormulaC15H13F3N2O
Molecular Weight294.28 g/mol
Exact Mass294.10
IUPAC Name3-[(2,2,2-trifluoro-1-phenylethyl)amino]benzamide
SMILESNC(=O)c1cccc(NC(c2ccccc2)C(F)(F)F)c1
InChIInChI=1S/C15H13F3N2O/c16-15(17,18)13(10-5-2-1-3-6-10)20-12-8-4-7-11(9-12)14(19)21/h1-9,13,20H,(H2,19,21)
InChIKeyDCCONKFKXURIRS-UHFFFAOYSA-N
XLogP3.50
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.28
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2,2,2-trifluoro-1-phenylethyl)amino]benzoic acid
CID 132516842
3-[[cyclopropyl(phenyl)methyl]amino]benzamide
CID 61313756
3-methoxy-N-(2,2,2-trifluoro-1-phenylethyl)aniline
CID 15310332
3-[[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]amino]benzamide
CID 94819637
3-(trifluoromethylamino)benzamide
CID 150882306
3-[(2-chloro-2-phenylacetyl)amino]benzamide
CID 43346587
methyl 2-(3-carbamoylanilino)propanoate
CID 66174696
3-[[(2S)-2-amino-2-phenylacetyl]amino]benzoic acid
CID 103868733
3-N-phenylbenzene-1,3-dicarboxamide;2,2,2-trifluoroacetic acid
CID 122516877
ethane;3-(methylamino)benzamide
CID 142071023
3-[1-(4-hydroxyphenyl)ethylamino]benzamide
CID 43202853
3-carbamoylbenzoic acid
CID 3014284

Frequently Asked Questions

What is the IUPAC name of 3-[(2,2,2-trifluoro-1-phenylethyl)amino]benzamide?
The IUPAC name of 3-[(2,2,2-trifluoro-1-phenylethyl)amino]benzamide (CID 107811192) is 3-[(2,2,2-trifluoro-1-phenylethyl)amino]benzamide.
What is the SMILES notation for 3-[(2,2,2-trifluoro-1-phenylethyl)amino]benzamide?
The canonical SMILES for 3-[(2,2,2-trifluoro-1-phenylethyl)amino]benzamide is NC(=O)c1cccc(NC(c2ccccc2)C(F)(F)F)c1.
What is the InChIKey of 3-[(2,2,2-trifluoro-1-phenylethyl)amino]benzamide?
The InChIKey is DCCONKFKXURIRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O/c16-15(17,18)13(10-5-2-1-3-6-10)20-12-8-4-7-11(9-12)14(19)21/h1-9,13,20H,(H2,19,21).
What are the key properties of 3-[(2,2,2-trifluoro-1-phenylethyl)amino]benzamide?
3-[(2,2,2-trifluoro-1-phenylethyl)amino]benzamide has a molecular weight of 294.28 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,2,2-trifluoro-1-phenylethyl)amino]benzamide is sourced from PubChem (CID 107811192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).