N-[2-(4-cyanophenoxy)-5-(trifluoromethyl)phenyl]-4-fluorobenzamide

C21H12F4N2O2 — CID 2797721

IUPACN-[2-(4-cyanophenoxy)-5-(trifluoromethyl)phenyl]-4-fluorobenzamide
SMILESN#Cc1ccc(Oc2ccc(C(F)(F)F)cc2NC(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C21H12F4N2O2/c22-16-6-3-14(4-7-16)20(28)27-18-11-15(21(23,24)25)5-10-19(18)29-17-8-1-13(12-26)2-9-17/h1-11H,(H,27,28)
InChIKeyOVTHMSTZRSFZLL-UHFFFAOYSA-N
MW400.33 g/mol
LogP5.76
Rot. Bonds4

About N-[2-(4-cyanophenoxy)-5-(trifluoromethyl)phenyl]-4-fluorobenzamide

N-[2-(4-cyanophenoxy)-5-(trifluoromethyl)phenyl]-4-fluorobenzamide (PubChem CID 2797721) has the molecular formula C21H12F4N2O2 and a molecular weight of 400.33 g/mol. Its IUPAC name is N-[2-(4-cyanophenoxy)-5-(trifluoromethyl)phenyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[2-(4-cyanophenoxy)-5-(trifluoromethyl)phenyl]-4-fluorobenzamide
PubChem CID2797721
Molecular FormulaC21H12F4N2O2
Molecular Weight400.33 g/mol
Exact Mass400.08
IUPAC NameN-[2-(4-cyanophenoxy)-5-(trifluoromethyl)phenyl]-4-fluorobenzamide
SMILESN#Cc1ccc(Oc2ccc(C(F)(F)F)cc2NC(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C21H12F4N2O2/c22-16-6-3-14(4-7-16)20(28)27-18-11-15(21(23,24)25)5-10-19(18)29-17-8-1-13(12-26)2-9-17/h1-11H,(H,27,28)
InChIKeyOVTHMSTZRSFZLL-UHFFFAOYSA-N
XLogP5.76
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.33
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[2-(4-fluorophenoxy)-5-(trifluoromethyl)phenyl]-5-nitrobenzamide
CID 132822569
3-cyano-N-[2-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)phenyl]benzamide
CID 38562779
4-fluoro-N-[2-methyl-5-(trifluoromethyl)phenyl]benzamide
CID 66480354
4-[2-(tert-butylsulfamoyl)phenyl]-N-[2-(3-cyanophenoxy)-5-(trifluoromethyl)phenyl]benzamide
CID 22596400
4-cyano-N-[4-(trifluoromethyl)phenyl]benzamide
CID 2684239
2-cyano-N-[2-methoxy-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 112523297
4-chloro-N-[2-(4-methoxyphenoxy)-5-(trifluoromethyl)phenyl]-3-nitrobenzamide
CID 1340542
N-[2-fluoro-5-(trifluoromethyl)phenyl]-4-methoxybenzamide
CID 2224741
N-[2-(4-methoxyphenoxy)-5-(trifluoromethyl)phenyl]-3-nitrobenzamide
CID 1341626
1-[3,5-bis(trifluoromethyl)phenyl]-3-[3-(4-cyanophenoxy)-4-methylphenyl]urea
CID 126674515
N-[2-(3-methoxyphenoxy)-5-(trifluoromethyl)phenyl]-3,5-dimethylbenzamide
CID 7918318
4-[2-methoxy-5-(trifluoromethyl)benzoyl]benzonitrile
CID 15718536

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-cyanophenoxy)-5-(trifluoromethyl)phenyl]-4-fluorobenzamide?
The IUPAC name of N-[2-(4-cyanophenoxy)-5-(trifluoromethyl)phenyl]-4-fluorobenzamide (CID 2797721) is N-[2-(4-cyanophenoxy)-5-(trifluoromethyl)phenyl]-4-fluorobenzamide.
What is the SMILES notation for N-[2-(4-cyanophenoxy)-5-(trifluoromethyl)phenyl]-4-fluorobenzamide?
The canonical SMILES for N-[2-(4-cyanophenoxy)-5-(trifluoromethyl)phenyl]-4-fluorobenzamide is N#Cc1ccc(Oc2ccc(C(F)(F)F)cc2NC(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of N-[2-(4-cyanophenoxy)-5-(trifluoromethyl)phenyl]-4-fluorobenzamide?
The InChIKey is OVTHMSTZRSFZLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12F4N2O2/c22-16-6-3-14(4-7-16)20(28)27-18-11-15(21(23,24)25)5-10-19(18)29-17-8-1-13(12-26)2-9-17/h1-11H,(H,27,28).
What are the key properties of N-[2-(4-cyanophenoxy)-5-(trifluoromethyl)phenyl]-4-fluorobenzamide?
N-[2-(4-cyanophenoxy)-5-(trifluoromethyl)phenyl]-4-fluorobenzamide has a molecular weight of 400.33 g/mol, XLogP of 5.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-cyanophenoxy)-5-(trifluoromethyl)phenyl]-4-fluorobenzamide is sourced from PubChem (CID 2797721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).