2-[3,5-bis(trifluoromethyl)phenoxy]-N-(2-cyanophenyl)acetamide

C17H10F6N2O2 — CID 7796207

IUPAC2-[3,5-bis(trifluoromethyl)phenoxy]-N-(2-cyanophenyl)acetamide
SMILESN#Cc1ccccc1NC(=O)COc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C17H10F6N2O2/c18-16(19,20)11-5-12(17(21,22)23)7-13(6-11)27-9-15(26)25-14-4-2-1-3-10(14)8-24/h1-7H,9H2,(H,25,26)
InChIKeyVIUMIGJTZKMSQS-UHFFFAOYSA-N
MW388.27 g/mol
LogP4.61
Rot. Bonds4

About 2-[3,5-bis(trifluoromethyl)phenoxy]-N-(2-cyanophenyl)acetamide

2-[3,5-bis(trifluoromethyl)phenoxy]-N-(2-cyanophenyl)acetamide (PubChem CID 7796207) has the molecular formula C17H10F6N2O2 and a molecular weight of 388.27 g/mol. Its IUPAC name is 2-[3,5-bis(trifluoromethyl)phenoxy]-N-(2-cyanophenyl)acetamide.

Molecular Properties

Compound Name2-[3,5-bis(trifluoromethyl)phenoxy]-N-(2-cyanophenyl)acetamide
PubChem CID7796207
Molecular FormulaC17H10F6N2O2
Molecular Weight388.27 g/mol
Exact Mass388.06
IUPAC Name2-[3,5-bis(trifluoromethyl)phenoxy]-N-(2-cyanophenyl)acetamide
SMILESN#Cc1ccccc1NC(=O)COc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C17H10F6N2O2/c18-16(19,20)11-5-12(17(21,22)23)7-13(6-11)27-9-15(26)25-14-4-2-1-3-10(14)8-24/h1-7H,9H2,(H,25,26)
InChIKeyVIUMIGJTZKMSQS-UHFFFAOYSA-N
XLogP4.61
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 ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[3,5-bis(trifluoromethyl)phenoxy]-N-(2-cyanophenyl)acetamide 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-(2-cyanophenyl)-2-(3,5-dichlorophenoxy)acetamide
CID 26216328
N-(2-cyanophenyl)-2-[4-(4-cyanophenyl)phenoxy]acetamide
CID 7670915
N'-[2-chloro-5-(trifluoromethyl)phenyl]-N-(2-cyanophenyl)propanediamide
CID 108956408
2-[3,5-bis(trifluoromethyl)phenoxy]-N-(2-ethoxy-3-pyridinyl)acetamide
CID 112830943
[2-(2-cyanoanilino)-2-oxoethyl] 3-[3-(trifluoromethyl)phenyl]prop-2-enoate
CID 4787169
[2-(2-cyanoanilino)-2-oxoethyl] (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate
CID 6212353
N-(2-cyanophenyl)-2-(2,4,5-trichlorophenoxy)acetamide
CID 4511857
N-(2-cyanophenyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 26417253
2-(2-bromo-4-tert-butylphenoxy)-N-(2-cyanophenyl)acetamide
CID 2203067
N-(2-cyanophenyl)-2-(2-methoxyphenoxy)acetamide
CID 922260
N-(2-cyanophenyl)-4-(trifluoromethyl)benzamide
CID 9115538
N-(2-cyanophenyl)-2-(2,2,3,3-tetrafluoropropoxy)acetamide
CID 29004789

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(trifluoromethyl)phenoxy]-N-(2-cyanophenyl)acetamide?
The IUPAC name of 2-[3,5-bis(trifluoromethyl)phenoxy]-N-(2-cyanophenyl)acetamide (CID 7796207) is 2-[3,5-bis(trifluoromethyl)phenoxy]-N-(2-cyanophenyl)acetamide.
What is the SMILES notation for 2-[3,5-bis(trifluoromethyl)phenoxy]-N-(2-cyanophenyl)acetamide?
The canonical SMILES for 2-[3,5-bis(trifluoromethyl)phenoxy]-N-(2-cyanophenyl)acetamide is N#Cc1ccccc1NC(=O)COc1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of 2-[3,5-bis(trifluoromethyl)phenoxy]-N-(2-cyanophenyl)acetamide?
The InChIKey is VIUMIGJTZKMSQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F6N2O2/c18-16(19,20)11-5-12(17(21,22)23)7-13(6-11)27-9-15(26)25-14-4-2-1-3-10(14)8-24/h1-7H,9H2,(H,25,26).
What are the key properties of 2-[3,5-bis(trifluoromethyl)phenoxy]-N-(2-cyanophenyl)acetamide?
2-[3,5-bis(trifluoromethyl)phenoxy]-N-(2-cyanophenyl)acetamide has a molecular weight of 388.27 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(trifluoromethyl)phenoxy]-N-(2-cyanophenyl)acetamide is sourced from PubChem (CID 7796207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).