2-(2-phenylmethoxyphenyl)-N-[3-(trifluoromethyl)phenyl]benzamide

C27H20F3NO2 — CID 118043131

IUPAC2-(2-phenylmethoxyphenyl)-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1ccccc1-c1ccccc1OCc1ccccc1
InChIInChI=1S/C27H20F3NO2/c28-27(29,30)20-11-8-12-21(17-20)31-26(32)24-15-5-4-13-22(24)23-14-6-7-16-25(23)33-18-19-9-2-1-3-10-19/h1-17H,18H2,(H,31,32)
InChIKeyQHNVHCMERKVEQK-UHFFFAOYSA-N
MW447.46 g/mol
LogP7.20
Rot. Bonds6

About 2-(2-phenylmethoxyphenyl)-N-[3-(trifluoromethyl)phenyl]benzamide

2-(2-phenylmethoxyphenyl)-N-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 118043131) has the molecular formula C27H20F3NO2 and a molecular weight of 447.46 g/mol. Its IUPAC name is 2-(2-phenylmethoxyphenyl)-N-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name2-(2-phenylmethoxyphenyl)-N-[3-(trifluoromethyl)phenyl]benzamide
PubChem CID118043131
Molecular FormulaC27H20F3NO2
Molecular Weight447.46 g/mol
Exact Mass447.14
IUPAC Name2-(2-phenylmethoxyphenyl)-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1ccccc1-c1ccccc1OCc1ccccc1
InChIInChI=1S/C27H20F3NO2/c28-27(29,30)20-11-8-12-21(17-20)31-26(32)24-15-5-4-13-22(24)23-14-6-7-16-25(23)33-18-19-9-2-1-3-10-19/h1-17H,18H2,(H,31,32)
InChIKeyQHNVHCMERKVEQK-UHFFFAOYSA-N
XLogP7.20
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.46
LogP ≤ 57.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-benzyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 2399730
4-ethoxy-3-phenylmethoxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 5002030
2-(2-methoxyethoxy)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 56593348
4-[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenoxy]butanoic acid
CID 134086672
[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl] hypobromite
CID 150746432
benzyl N-[3-(trifluoromethyl)phenyl]carbamate
CID 5201332
2-[2-(dimethylamino)-2-oxoethoxy]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 27666765
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 31301441
2-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 9043710
3-[[2-[3-(trifluoromethyl)phenyl]benzoyl]amino]benzoic acid
CID 151250225
2-[[(2-methoxybenzoyl)amino]methyl]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 90012211
2-(2-acetylphenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 112781566

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylmethoxyphenyl)-N-[3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 2-(2-phenylmethoxyphenyl)-N-[3-(trifluoromethyl)phenyl]benzamide (CID 118043131) is 2-(2-phenylmethoxyphenyl)-N-[3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 2-(2-phenylmethoxyphenyl)-N-[3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 2-(2-phenylmethoxyphenyl)-N-[3-(trifluoromethyl)phenyl]benzamide is O=C(Nc1cccc(C(F)(F)F)c1)c1ccccc1-c1ccccc1OCc1ccccc1.
What is the InChIKey of 2-(2-phenylmethoxyphenyl)-N-[3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is QHNVHCMERKVEQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20F3NO2/c28-27(29,30)20-11-8-12-21(17-20)31-26(32)24-15-5-4-13-22(24)23-14-6-7-16-25(23)33-18-19-9-2-1-3-10-19/h1-17H,18H2,(H,31,32).
What are the key properties of 2-(2-phenylmethoxyphenyl)-N-[3-(trifluoromethyl)phenyl]benzamide?
2-(2-phenylmethoxyphenyl)-N-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 447.46 g/mol, XLogP of 7.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylmethoxyphenyl)-N-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 118043131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).