N-(4-cyanophenyl)-3-[[4-(trifluoromethyl)phenyl]methoxy]benzamide

C22H15F3N2O2 — CID 90241335

IUPACN-(4-cyanophenyl)-3-[[4-(trifluoromethyl)phenyl]methoxy]benzamide
SMILESN#Cc1ccc(NC(=O)c2cccc(OCc3ccc(C(F)(F)F)cc3)c2)cc1
InChIInChI=1S/C22H15F3N2O2/c23-22(24,25)18-8-4-16(5-9-18)14-29-20-3-1-2-17(12-20)21(28)27-19-10-6-15(13-26)7-11-19/h1-12H,14H2,(H,27,28)
InChIKeyVISRREGPQMKCRV-UHFFFAOYSA-N
MW396.37 g/mol
LogP5.41
Rot. Bonds5

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

N-(4-cyanophenyl)-3-[[4-(trifluoromethyl)phenyl]methoxy]benzamide (PubChem CID 90241335) has the molecular formula C22H15F3N2O2 and a molecular weight of 396.37 g/mol. Its IUPAC name is N-(4-cyanophenyl)-3-[[4-(trifluoromethyl)phenyl]methoxy]benzamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-3-[[4-(trifluoromethyl)phenyl]methoxy]benzamide
PubChem CID90241335
Molecular FormulaC22H15F3N2O2
Molecular Weight396.37 g/mol
Exact Mass396.11
IUPAC NameN-(4-cyanophenyl)-3-[[4-(trifluoromethyl)phenyl]methoxy]benzamide
SMILESN#Cc1ccc(NC(=O)c2cccc(OCc3ccc(C(F)(F)F)cc3)c2)cc1
InChIInChI=1S/C22H15F3N2O2/c23-22(24,25)18-8-4-16(5-9-18)14-29-20-3-1-2-17(12-20)21(28)27-19-10-6-15(13-26)7-11-19/h1-12H,14H2,(H,27,28)
InChIKeyVISRREGPQMKCRV-UHFFFAOYSA-N
XLogP5.41
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.37
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-pyridin-3-yl-3-[[4-(trifluoromethyl)phenyl]methoxy]benzamide
CID 59607236
4-cyano-N-[4-(trifluoromethyl)phenyl]benzamide
CID 2684239
3-cyano-N-[3-[(4-fluorophenyl)methoxy]phenyl]benzamide
CID 46594970
4-cyano-N-(4-phenylmethoxyphenyl)benzamide
CID 40610982
N-[4-(phenoxymethyl)phenyl]benzamide
CID 141092226
4-[[4-(4-cyanophenyl)phenoxy]methyl]-N-phenylbenzamide
CID 7670252
N-[3-(phenoxymethyl)phenyl]-4-(trifluoromethyl)benzamide
CID 91610384
N-benzyl-3-[(4-cyanophenyl)methoxy]benzamide
CID 7492266
actinium;[2-[[3-[[4-(trifluoromethyl)phenyl]methoxy]benzoyl]amino]phenyl]sulfonylazanide
CID 59057416
3-[(4-cyanophenyl)methoxy]benzamide
CID 18354600
3-[[2-(4-cyanophenoxy)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 16552434
1-N-(4-cyanophenyl)-3-N-(4-ethoxyphenyl)benzene-1,3-dicarboxamide
CID 109057669

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-3-[[4-(trifluoromethyl)phenyl]methoxy]benzamide?
The IUPAC name of N-(4-cyanophenyl)-3-[[4-(trifluoromethyl)phenyl]methoxy]benzamide (CID 90241335) is N-(4-cyanophenyl)-3-[[4-(trifluoromethyl)phenyl]methoxy]benzamide.
What is the SMILES notation for N-(4-cyanophenyl)-3-[[4-(trifluoromethyl)phenyl]methoxy]benzamide?
The canonical SMILES for N-(4-cyanophenyl)-3-[[4-(trifluoromethyl)phenyl]methoxy]benzamide is N#Cc1ccc(NC(=O)c2cccc(OCc3ccc(C(F)(F)F)cc3)c2)cc1.
What is the InChIKey of N-(4-cyanophenyl)-3-[[4-(trifluoromethyl)phenyl]methoxy]benzamide?
The InChIKey is VISRREGPQMKCRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F3N2O2/c23-22(24,25)18-8-4-16(5-9-18)14-29-20-3-1-2-17(12-20)21(28)27-19-10-6-15(13-26)7-11-19/h1-12H,14H2,(H,27,28).
What are the key properties of N-(4-cyanophenyl)-3-[[4-(trifluoromethyl)phenyl]methoxy]benzamide?
N-(4-cyanophenyl)-3-[[4-(trifluoromethyl)phenyl]methoxy]benzamide has a molecular weight of 396.37 g/mol, XLogP of 5.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-3-[[4-(trifluoromethyl)phenyl]methoxy]benzamide is sourced from PubChem (CID 90241335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).