4-(phenoxymethyl)-N-[4-(trifluoromethoxy)phenyl]benzamide

C21H16F3NO3 — CID 7957132

IUPAC4-(phenoxymethyl)-N-[4-(trifluoromethoxy)phenyl]benzamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(COc2ccccc2)cc1
InChIInChI=1S/C21H16F3NO3/c22-21(23,24)28-19-12-10-17(11-13-19)25-20(26)16-8-6-15(7-9-16)14-27-18-4-2-1-3-5-18/h1-13H,14H2,(H,25,26)
InChIKeyUQBBVZKQZLAIMY-UHFFFAOYSA-N
MW387.36 g/mol
LogP5.42
Rot. Bonds6

About 4-(phenoxymethyl)-N-[4-(trifluoromethoxy)phenyl]benzamide

4-(phenoxymethyl)-N-[4-(trifluoromethoxy)phenyl]benzamide (PubChem CID 7957132) has the molecular formula C21H16F3NO3 and a molecular weight of 387.36 g/mol. Its IUPAC name is 4-(phenoxymethyl)-N-[4-(trifluoromethoxy)phenyl]benzamide.

Molecular Properties

Compound Name4-(phenoxymethyl)-N-[4-(trifluoromethoxy)phenyl]benzamide
PubChem CID7957132
Molecular FormulaC21H16F3NO3
Molecular Weight387.36 g/mol
Exact Mass387.11
IUPAC Name4-(phenoxymethyl)-N-[4-(trifluoromethoxy)phenyl]benzamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(COc2ccccc2)cc1
InChIInChI=1S/C21H16F3NO3/c22-21(23,24)28-19-12-10-17(11-13-19)25-20(26)16-8-6-15(7-9-16)14-27-18-4-2-1-3-5-18/h1-13H,14H2,(H,25,26)
InChIKeyUQBBVZKQZLAIMY-UHFFFAOYSA-N
XLogP5.42
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.36
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(phenoxymethyl)-N-[4-(trifluoromethoxy)phenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(phenoxymethyl)phenyl]benzamide
CID 141092226
N-(4-ethylphenyl)-4-(phenoxymethyl)benzamide
CID 2195613
N-(4-phenyldiazenylphenyl)-4-(trifluoromethoxy)benzamide
CID 7927077
4-cyano-N-(4-phenylmethoxyphenyl)benzamide
CID 40610982
4-(methylsulfanylmethyl)-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 2526024
N-[4-(2-methylpropoxy)phenyl]-4-phenylmethoxybenzamide
CID 4958406
1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]ethanone
CID 52561273
4-sulfanyl-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 107020507
4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 2678249
benzyl N-[4-(trifluoromethoxy)phenyl]carbamate
CID 134102882
N-[3-(phenoxymethyl)phenyl]-4-(trifluoromethyl)benzamide
CID 91610384
4-heptoxy-N-(4-phenylmethoxyphenyl)benzamide
CID 4950725

Frequently Asked Questions

What is the IUPAC name of 4-(phenoxymethyl)-N-[4-(trifluoromethoxy)phenyl]benzamide?
The IUPAC name of 4-(phenoxymethyl)-N-[4-(trifluoromethoxy)phenyl]benzamide (CID 7957132) is 4-(phenoxymethyl)-N-[4-(trifluoromethoxy)phenyl]benzamide.
What is the SMILES notation for 4-(phenoxymethyl)-N-[4-(trifluoromethoxy)phenyl]benzamide?
The canonical SMILES for 4-(phenoxymethyl)-N-[4-(trifluoromethoxy)phenyl]benzamide is O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(COc2ccccc2)cc1.
What is the InChIKey of 4-(phenoxymethyl)-N-[4-(trifluoromethoxy)phenyl]benzamide?
The InChIKey is UQBBVZKQZLAIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3NO3/c22-21(23,24)28-19-12-10-17(11-13-19)25-20(26)16-8-6-15(7-9-16)14-27-18-4-2-1-3-5-18/h1-13H,14H2,(H,25,26).
What are the key properties of 4-(phenoxymethyl)-N-[4-(trifluoromethoxy)phenyl]benzamide?
4-(phenoxymethyl)-N-[4-(trifluoromethoxy)phenyl]benzamide has a molecular weight of 387.36 g/mol, XLogP of 5.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(phenoxymethyl)-N-[4-(trifluoromethoxy)phenyl]benzamide is sourced from PubChem (CID 7957132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).