3-[[3-(trifluoromethyl)anilino]methyl]benzamide

C15H13F3N2O — CID 28571852

IUPAC3-[[3-(trifluoromethyl)anilino]methyl]benzamide
SMILESNC(=O)c1cccc(CNc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C15H13F3N2O/c16-15(17,18)12-5-2-6-13(8-12)20-9-10-3-1-4-11(7-10)14(19)21/h1-8,20H,9H2,(H2,19,21)
InChIKeyRLEKACJXGGSTOX-UHFFFAOYSA-N
MW294.28 g/mol
LogP3.42
Rot. Bonds4

About 3-[[3-(trifluoromethyl)anilino]methyl]benzamide

3-[[3-(trifluoromethyl)anilino]methyl]benzamide (PubChem CID 28571852) has the molecular formula C15H13F3N2O and a molecular weight of 294.28 g/mol. Its IUPAC name is 3-[[3-(trifluoromethyl)anilino]methyl]benzamide.

Molecular Properties

Compound Name3-[[3-(trifluoromethyl)anilino]methyl]benzamide
PubChem CID28571852
Molecular FormulaC15H13F3N2O
Molecular Weight294.28 g/mol
Exact Mass294.10
IUPAC Name3-[[3-(trifluoromethyl)anilino]methyl]benzamide
SMILESNC(=O)c1cccc(CNc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C15H13F3N2O/c16-15(17,18)12-5-2-6-13(8-12)20-9-10-3-1-4-11(7-10)14(19)21/h1-8,20H,9H2,(H2,19,21)
InChIKeyRLEKACJXGGSTOX-UHFFFAOYSA-N
XLogP3.42
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 ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[3-(trifluoromethyl)anilino]methyl]benzoic acid
CID 82095988
3-[(4-tert-butylanilino)methyl]benzamide
CID 28572040
3-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]benzamide
CID 54833567
3-[(3,5-difluoroanilino)methyl]benzamide
CID 28584265
3-[(naphthalen-2-ylamino)methyl]benzamide
CID 43533069
3-[(4-chloro-3-fluoroanilino)methyl]benzamide
CID 61467366
3-[[2-hydroxy-2-[3-(trifluoromethyl)phenyl]propyl]amino]benzamide
CID 111121610
N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 10658372
3-[(3,5-dichloroanilino)methyl]benzamide
CID 28576195
3-[(3-cyanoanilino)methyl]benzamide
CID 28580996
3-[[3-(difluoromethyl)phenyl]methylamino]benzamide
CID 115526018
3-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzene-1,3-dicarboxamide
CID 46577065

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(trifluoromethyl)anilino]methyl]benzamide?
The IUPAC name of 3-[[3-(trifluoromethyl)anilino]methyl]benzamide (CID 28571852) is 3-[[3-(trifluoromethyl)anilino]methyl]benzamide.
What is the SMILES notation for 3-[[3-(trifluoromethyl)anilino]methyl]benzamide?
The canonical SMILES for 3-[[3-(trifluoromethyl)anilino]methyl]benzamide is NC(=O)c1cccc(CNc2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of 3-[[3-(trifluoromethyl)anilino]methyl]benzamide?
The InChIKey is RLEKACJXGGSTOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O/c16-15(17,18)12-5-2-6-13(8-12)20-9-10-3-1-4-11(7-10)14(19)21/h1-8,20H,9H2,(H2,19,21).
What are the key properties of 3-[[3-(trifluoromethyl)anilino]methyl]benzamide?
3-[[3-(trifluoromethyl)anilino]methyl]benzamide has a molecular weight of 294.28 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(trifluoromethyl)anilino]methyl]benzamide is sourced from PubChem (CID 28571852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).