3-cyano-N-[2-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)phenyl]benzamide

C17H10F6N2O2 — CID 38562779

IUPAC3-cyano-N-[2-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)phenyl]benzamide
SMILESN#Cc1cccc(C(=O)Nc2cc(C(F)(F)F)ccc2OCC(F)(F)F)c1
InChIInChI=1S/C17H10F6N2O2/c18-16(19,20)9-27-14-5-4-12(17(21,22)23)7-13(14)25-15(26)11-3-1-2-10(6-11)8-24/h1-7H,9H2,(H,25,26)
InChIKeySHKBYFMNSXFZAN-UHFFFAOYSA-N
MW388.27 g/mol
LogP4.77
Rot. Bonds4

About 3-cyano-N-[2-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)phenyl]benzamide

3-cyano-N-[2-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)phenyl]benzamide (PubChem CID 38562779) has the molecular formula C17H10F6N2O2 and a molecular weight of 388.27 g/mol. Its IUPAC name is 3-cyano-N-[2-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name3-cyano-N-[2-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)phenyl]benzamide
PubChem CID38562779
Molecular FormulaC17H10F6N2O2
Molecular Weight388.27 g/mol
Exact Mass388.06
IUPAC Name3-cyano-N-[2-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)phenyl]benzamide
SMILESN#Cc1cccc(C(=O)Nc2cc(C(F)(F)F)ccc2OCC(F)(F)F)c1
InChIInChI=1S/C17H10F6N2O2/c18-16(19,20)9-27-14-5-4-12(17(21,22)23)7-13(14)25-15(26)11-3-1-2-10(6-11)8-24/h1-7H,9H2,(H,25,26)
InChIKeySHKBYFMNSXFZAN-UHFFFAOYSA-N
XLogP4.77
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.27
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[2-(2-methoxyethoxy)-5-(trifluoromethyl)anilino]-2-oxoethyl] 3-cyanobenzoate
CID 29338711
3-methoxy-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]benzamide
CID 4880939
3-[(3-cyanobenzoyl)amino]-4-propoxybenzoic acid
CID 110493770
3-cyano-N-(2,5-diethoxyphenyl)benzamide
CID 29455083
3-cyano-N-[2-(cyanomethoxy)phenyl]benzamide
CID 43369330
N-[2-(4-cyanophenoxy)-5-(trifluoromethyl)phenyl]-4-fluorobenzamide
CID 2797721
3,5-dimethoxy-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]benzamide
CID 2671998
3-[[2-(4-cyanophenoxy)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 16552434
3-cyano-N-[3-[4-(2,2,2-trifluoroethoxy)-6-[3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]phenyl]benzamide
CID 87237333
2-cyano-N-[2-methoxy-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 112523297
N-(4-benzamido-2,5-diethoxyphenyl)-3-(trifluoromethyl)benzamide
CID 2128081
N-[2-ethoxy-5-(trifluoromethyl)phenyl]-3,4-dimethoxybenzamide
CID 1251443

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[2-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 3-cyano-N-[2-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)phenyl]benzamide (CID 38562779) is 3-cyano-N-[2-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 3-cyano-N-[2-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 3-cyano-N-[2-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)phenyl]benzamide is N#Cc1cccc(C(=O)Nc2cc(C(F)(F)F)ccc2OCC(F)(F)F)c1.
What is the InChIKey of 3-cyano-N-[2-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)phenyl]benzamide?
The InChIKey is SHKBYFMNSXFZAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F6N2O2/c18-16(19,20)9-27-14-5-4-12(17(21,22)23)7-13(14)25-15(26)11-3-1-2-10(6-11)8-24/h1-7H,9H2,(H,25,26).
What are the key properties of 3-cyano-N-[2-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)phenyl]benzamide?
3-cyano-N-[2-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)phenyl]benzamide has a molecular weight of 388.27 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[2-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 38562779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).