3-[[2-(trifluoromethyl)phenyl]methylamino]benzamide

C15H13F3N2O — CID 28650471

IUPAC3-[[2-(trifluoromethyl)phenyl]methylamino]benzamide
SMILESNC(=O)c1cccc(NCc2ccccc2C(F)(F)F)c1
InChIInChI=1S/C15H13F3N2O/c16-15(17,18)13-7-2-1-4-11(13)9-20-12-6-3-5-10(8-12)14(19)21/h1-8,20H,9H2,(H2,19,21)
InChIKeyNBGUKINPGFCVGZ-UHFFFAOYSA-N
MW294.28 g/mol
LogP3.42
Rot. Bonds4

About 3-[[2-(trifluoromethyl)phenyl]methylamino]benzamide

3-[[2-(trifluoromethyl)phenyl]methylamino]benzamide (PubChem CID 28650471) has the molecular formula C15H13F3N2O and a molecular weight of 294.28 g/mol. Its IUPAC name is 3-[[2-(trifluoromethyl)phenyl]methylamino]benzamide.

Molecular Properties

Compound Name3-[[2-(trifluoromethyl)phenyl]methylamino]benzamide
PubChem CID28650471
Molecular FormulaC15H13F3N2O
Molecular Weight294.28 g/mol
Exact Mass294.10
IUPAC Name3-[[2-(trifluoromethyl)phenyl]methylamino]benzamide
SMILESNC(=O)c1cccc(NCc2ccccc2C(F)(F)F)c1
InChIInChI=1S/C15H13F3N2O/c16-15(17,18)13-7-2-1-4-11(13)9-20-12-6-3-5-10(8-12)14(19)21/h1-8,20H,9H2,(H2,19,21)
InChIKeyNBGUKINPGFCVGZ-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-[(2-hydroxyphenyl)methylamino]benzamide
CID 28650539
3-[4-[[[2-(trifluoromethyl)phenyl]methylamino]methyl]phenyl]benzamide
CID 59316493
3-[(3-chloro-2-fluorophenyl)methylamino]benzamide
CID 115743478
3-fluoro-5-[[2-[2-(trifluoromethyl)phenyl]acetyl]amino]benzamide
CID 176505348
3-[(2,4,5-trimethylphenyl)methylamino]benzamide
CID 43767609
6-[[2-(trifluoromethyl)phenyl]methylamino]pyridazine-3-carboxamide
CID 79109187
3-[[3-(trifluoromethyl)anilino]methyl]benzamide
CID 28571852
2-methyl-4-N-[[2-(trifluoromethyl)phenyl]methyl]benzene-1,4-diamine
CID 62881302
3-[(4-fluorophenyl)methylamino]benzamide
CID 28650463
3-(1H-indol-3-ylmethylamino)benzamide
CID 60680190
3-(quinolin-4-ylmethylamino)benzamide
CID 63868510
5-[(3-carbamoylanilino)methyl]thiophene-3-carboxamide
CID 79605970

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(trifluoromethyl)phenyl]methylamino]benzamide?
The IUPAC name of 3-[[2-(trifluoromethyl)phenyl]methylamino]benzamide (CID 28650471) is 3-[[2-(trifluoromethyl)phenyl]methylamino]benzamide.
What is the SMILES notation for 3-[[2-(trifluoromethyl)phenyl]methylamino]benzamide?
The canonical SMILES for 3-[[2-(trifluoromethyl)phenyl]methylamino]benzamide is NC(=O)c1cccc(NCc2ccccc2C(F)(F)F)c1.
What is the InChIKey of 3-[[2-(trifluoromethyl)phenyl]methylamino]benzamide?
The InChIKey is NBGUKINPGFCVGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O/c16-15(17,18)13-7-2-1-4-11(13)9-20-12-6-3-5-10(8-12)14(19)21/h1-8,20H,9H2,(H2,19,21).
What are the key properties of 3-[[2-(trifluoromethyl)phenyl]methylamino]benzamide?
3-[[2-(trifluoromethyl)phenyl]methylamino]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-[[2-(trifluoromethyl)phenyl]methylamino]benzamide is sourced from PubChem (CID 28650471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).