N-benzyl-3-(trifluoromethoxy)benzamide

C15H12F3NO2 — CID 175307745

IUPACN-benzyl-3-(trifluoromethoxy)benzamide
SMILESO=C(NCc1ccccc1)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C15H12F3NO2/c16-15(17,18)21-13-8-4-7-12(9-13)14(20)19-10-11-5-2-1-3-6-11/h1-9H,10H2,(H,19,20)
InChIKeyAAGNHBUVODPPEX-UHFFFAOYSA-N
MW295.26 g/mol
LogP3.52
Rot. Bonds4

About N-benzyl-3-(trifluoromethoxy)benzamide

N-benzyl-3-(trifluoromethoxy)benzamide (PubChem CID 175307745) has the molecular formula C15H12F3NO2 and a molecular weight of 295.26 g/mol. Its IUPAC name is N-benzyl-3-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-benzyl-3-(trifluoromethoxy)benzamide
PubChem CID175307745
Molecular FormulaC15H12F3NO2
Molecular Weight295.26 g/mol
Exact Mass295.08
IUPAC NameN-benzyl-3-(trifluoromethoxy)benzamide
SMILESO=C(NCc1ccccc1)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C15H12F3NO2/c16-15(17,18)21-13-8-4-7-12(9-13)14(20)19-10-11-5-2-1-3-6-11/h1-9H,10H2,(H,19,20)
InChIKeyAAGNHBUVODPPEX-UHFFFAOYSA-N
XLogP3.52
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.26
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(benzylcarbamoyl)phenyl] 3,5-difluorobenzoate
CID 8879154
2-N,4-N-bis[[3-(trifluoromethoxy)phenyl]methyl]pyridine-2,4-dicarboxamide
CID 10142418
3-acetamido-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide
CID 17403034
N-benzyl-3-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]oxybenzamide
CID 9253337
N-[(5-thiophen-2-yl-3-pyridinyl)methyl]-3-(trifluoromethoxy)benzamide
CID 91817311
N-benzyl-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]oxy]benzamide
CID 133382101
N-[[4-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-4-yl)phenyl]methyl]-3-(trifluoromethoxy)benzamide;hydrochloride
CID 140540796
2-oxo-4-phenyl-N-[[3-(trifluoromethoxy)phenyl]methyl]butanamide
CID 160603297
[3-(benzylcarbamoyl)phenyl] 2-phenylethanesulfonate
CID 60538324
N-[(1S)-2-hydroxy-1-phenylethyl]-3-(trifluoromethoxy)benzamide
CID 110001668
2-(benzylcarbamoylamino)-N-[3-(trifluoromethoxy)phenyl]acetamide
CID 38260097
[3-(benzylcarbamoyl)phenyl] 4-fluorobenzenesulfonate
CID 31391254

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(trifluoromethoxy)benzamide?
The IUPAC name of N-benzyl-3-(trifluoromethoxy)benzamide (CID 175307745) is N-benzyl-3-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-benzyl-3-(trifluoromethoxy)benzamide?
The canonical SMILES for N-benzyl-3-(trifluoromethoxy)benzamide is O=C(NCc1ccccc1)c1cccc(OC(F)(F)F)c1.
What is the InChIKey of N-benzyl-3-(trifluoromethoxy)benzamide?
The InChIKey is AAGNHBUVODPPEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NO2/c16-15(17,18)21-13-8-4-7-12(9-13)14(20)19-10-11-5-2-1-3-6-11/h1-9H,10H2,(H,19,20).
What are the key properties of N-benzyl-3-(trifluoromethoxy)benzamide?
N-benzyl-3-(trifluoromethoxy)benzamide has a molecular weight of 295.26 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(trifluoromethoxy)benzamide is sourced from PubChem (CID 175307745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).