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

C17H13F3N2O2 — CID 156549064

IUPAC3-cyano-N-methyl-4-[[3-(trifluoromethyl)phenyl]methoxy]benzamide
SMILESCNC(=O)c1ccc(OCc2cccc(C(F)(F)F)c2)c(C#N)c1
InChIInChI=1S/C17H13F3N2O2/c1-22-16(23)12-5-6-15(13(8-12)9-21)24-10-11-3-2-4-14(7-11)17(18,19)20/h2-8H,10H2,1H3,(H,22,23)
InChIKeyNFGRAGLZPCHSQI-UHFFFAOYSA-N
MW334.30 g/mol
LogP3.52
Rot. Bonds4

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

3-cyano-N-methyl-4-[[3-(trifluoromethyl)phenyl]methoxy]benzamide (PubChem CID 156549064) has the molecular formula C17H13F3N2O2 and a molecular weight of 334.30 g/mol. Its IUPAC name is 3-cyano-N-methyl-4-[[3-(trifluoromethyl)phenyl]methoxy]benzamide.

Molecular Properties

Compound Name3-cyano-N-methyl-4-[[3-(trifluoromethyl)phenyl]methoxy]benzamide
PubChem CID156549064
Molecular FormulaC17H13F3N2O2
Molecular Weight334.30 g/mol
Exact Mass334.09
IUPAC Name3-cyano-N-methyl-4-[[3-(trifluoromethyl)phenyl]methoxy]benzamide
SMILESCNC(=O)c1ccc(OCc2cccc(C(F)(F)F)c2)c(C#N)c1
InChIInChI=1S/C17H13F3N2O2/c1-22-16(23)12-5-6-15(13(8-12)9-21)24-10-11-3-2-4-14(7-11)17(18,19)20/h2-8H,10H2,1H3,(H,22,23)
InChIKeyNFGRAGLZPCHSQI-UHFFFAOYSA-N
XLogP3.52
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.30
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyano-N-methyl-4-[[3-(trifluoromethyl)phenyl]methoxy]benzenesulfonamide
CID 156538666
N-methyl-4-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]benzamide
CID 8700304
4-cyano-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 18291756
4-ethoxy-3-phenylmethoxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 5002030
4-amino-3-[(3-bromophenyl)methoxy]-N-methylbenzamide
CID 82828617
4-[3-[[3-(trifluoromethyl)phenyl]methoxy]-1-benzothiophene-2-carbonyl]benzonitrile
CID 11373984
methyl (Z)-2-cyano-3-[3-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]prop-2-enoate
CID 17388997
3-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]-N-propan-2-ylbenzamide
CID 155154016
4-methoxy-N-methyl-3-phenylmethoxybenzamide
CID 138553454
3-[(2-cyanophenoxy)methyl]benzohydrazide
CID 63575853
3-(2-hydroxyethoxy)-4-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 55734454
1-[3-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]phenyl]ethanone
CID 161096895

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-methyl-4-[[3-(trifluoromethyl)phenyl]methoxy]benzamide?
The IUPAC name of 3-cyano-N-methyl-4-[[3-(trifluoromethyl)phenyl]methoxy]benzamide (CID 156549064) is 3-cyano-N-methyl-4-[[3-(trifluoromethyl)phenyl]methoxy]benzamide.
What is the SMILES notation for 3-cyano-N-methyl-4-[[3-(trifluoromethyl)phenyl]methoxy]benzamide?
The canonical SMILES for 3-cyano-N-methyl-4-[[3-(trifluoromethyl)phenyl]methoxy]benzamide is CNC(=O)c1ccc(OCc2cccc(C(F)(F)F)c2)c(C#N)c1.
What is the InChIKey of 3-cyano-N-methyl-4-[[3-(trifluoromethyl)phenyl]methoxy]benzamide?
The InChIKey is NFGRAGLZPCHSQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2O2/c1-22-16(23)12-5-6-15(13(8-12)9-21)24-10-11-3-2-4-14(7-11)17(18,19)20/h2-8H,10H2,1H3,(H,22,23).
What are the key properties of 3-cyano-N-methyl-4-[[3-(trifluoromethyl)phenyl]methoxy]benzamide?
3-cyano-N-methyl-4-[[3-(trifluoromethyl)phenyl]methoxy]benzamide has a molecular weight of 334.30 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-methyl-4-[[3-(trifluoromethyl)phenyl]methoxy]benzamide is sourced from PubChem (CID 156549064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).