N-[3-(phenoxymethyl)phenyl]-4-(trifluoromethyl)benzamide

C21H16F3NO2 — CID 91610384

IUPACN-[3-(phenoxymethyl)phenyl]-4-(trifluoromethyl)benzamide
SMILESO=C(Nc1cccc(COc2ccccc2)c1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H16F3NO2/c22-21(23,24)17-11-9-16(10-12-17)20(26)25-18-6-4-5-15(13-18)14-27-19-7-2-1-3-8-19/h1-13H,14H2,(H,25,26)
InChIKeyUVUVXBJJRSAMKO-UHFFFAOYSA-N
MW371.36 g/mol
LogP5.54
Rot. Bonds5

About N-[3-(phenoxymethyl)phenyl]-4-(trifluoromethyl)benzamide

N-[3-(phenoxymethyl)phenyl]-4-(trifluoromethyl)benzamide (PubChem CID 91610384) has the molecular formula C21H16F3NO2 and a molecular weight of 371.36 g/mol. Its IUPAC name is N-[3-(phenoxymethyl)phenyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[3-(phenoxymethyl)phenyl]-4-(trifluoromethyl)benzamide
PubChem CID91610384
Molecular FormulaC21H16F3NO2
Molecular Weight371.36 g/mol
Exact Mass371.11
IUPAC NameN-[3-(phenoxymethyl)phenyl]-4-(trifluoromethyl)benzamide
SMILESO=C(Nc1cccc(COc2ccccc2)c1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H16F3NO2/c22-21(23,24)17-11-9-16(10-12-17)20(26)25-18-6-4-5-15(13-18)14-27-19-7-2-1-3-8-19/h1-13H,14H2,(H,25,26)
InChIKeyUVUVXBJJRSAMKO-UHFFFAOYSA-N
XLogP5.54
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.36
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-phenoxyethoxy)-N-(3-phenylmethoxyphenyl)benzamide
CID 17086099
4-phenylmethoxy-N'-[3-(trifluoromethyl)phenyl]benzohydrazide
CID 55343538
3-[(4-phenylmethoxybenzoyl)amino]benzamide
CID 78779054
4-phenylmethoxy-N-(3-prop-2-enoxyphenyl)benzamide
CID 17086755
N-(3-phenylmethoxyphenyl)-4-propoxybenzamide
CID 17086082
N-pyridin-3-yl-3-[[4-(trifluoromethyl)phenyl]methoxy]benzamide
CID 59607236
N-(4-cyanophenyl)-3-[[4-(trifluoromethyl)phenyl]methoxy]benzamide
CID 90241335
3-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]-N-phenylbenzamide
CID 155154021
1-N-benzyl-4-N-[3-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide
CID 109046746
3-[[4-[(4-fluorophenyl)methoxy]benzoyl]amino]benzoic acid
CID 139501079
4-ethoxy-3-phenylmethoxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 5002030
4-(phenoxymethyl)-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 7957132

Frequently Asked Questions

What is the IUPAC name of N-[3-(phenoxymethyl)phenyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[3-(phenoxymethyl)phenyl]-4-(trifluoromethyl)benzamide (CID 91610384) is N-[3-(phenoxymethyl)phenyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[3-(phenoxymethyl)phenyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[3-(phenoxymethyl)phenyl]-4-(trifluoromethyl)benzamide is O=C(Nc1cccc(COc2ccccc2)c1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[3-(phenoxymethyl)phenyl]-4-(trifluoromethyl)benzamide?
The InChIKey is UVUVXBJJRSAMKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3NO2/c22-21(23,24)17-11-9-16(10-12-17)20(26)25-18-6-4-5-15(13-18)14-27-19-7-2-1-3-8-19/h1-13H,14H2,(H,25,26).
What are the key properties of N-[3-(phenoxymethyl)phenyl]-4-(trifluoromethyl)benzamide?
N-[3-(phenoxymethyl)phenyl]-4-(trifluoromethyl)benzamide has a molecular weight of 371.36 g/mol, XLogP of 5.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(phenoxymethyl)phenyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 91610384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).