6-[2,4-bis(trifluoromethyl)phenoxy]-N-(3-cyano-4-fluorophenyl)-2-fluoro-3-(trifluoromethyl)benzamide

C23H9F11N2O2 — CID 169097070

IUPAC6-[2,4-bis(trifluoromethyl)phenoxy]-N-(3-cyano-4-fluorophenyl)-2-fluoro-3-(trifluoromethyl)benzamide
SMILESN#Cc1cc(NC(=O)c2c(Oc3ccc(C(F)(F)F)cc3C(F)(F)F)ccc(C(F)(F)F)c2F)ccc1F
InChIInChI=1S/C23H9F11N2O2/c24-15-4-2-12(7-10(15)9-35)36-20(37)18-17(6-3-13(19(18)25)22(29,30)31)38-16-5-1-11(21(26,27)28)8-14(16)23(32,33)34/h1-8H,(H,36,37)
InChIKeyHZXJTGSXFDASJW-UHFFFAOYSA-N
MW554.32 g/mol
LogP7.94
Rot. Bonds4

About 6-[2,4-bis(trifluoromethyl)phenoxy]-N-(3-cyano-4-fluorophenyl)-2-fluoro-3-(trifluoromethyl)benzamide

6-[2,4-bis(trifluoromethyl)phenoxy]-N-(3-cyano-4-fluorophenyl)-2-fluoro-3-(trifluoromethyl)benzamide (PubChem CID 169097070) has the molecular formula C23H9F11N2O2 and a molecular weight of 554.32 g/mol. Its IUPAC name is 6-[2,4-bis(trifluoromethyl)phenoxy]-N-(3-cyano-4-fluorophenyl)-2-fluoro-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name6-[2,4-bis(trifluoromethyl)phenoxy]-N-(3-cyano-4-fluorophenyl)-2-fluoro-3-(trifluoromethyl)benzamide
PubChem CID169097070
Molecular FormulaC23H9F11N2O2
Molecular Weight554.32 g/mol
Exact Mass554.05
IUPAC Name6-[2,4-bis(trifluoromethyl)phenoxy]-N-(3-cyano-4-fluorophenyl)-2-fluoro-3-(trifluoromethyl)benzamide
SMILESN#Cc1cc(NC(=O)c2c(Oc3ccc(C(F)(F)F)cc3C(F)(F)F)ccc(C(F)(F)F)c2F)ccc1F
InChIInChI=1S/C23H9F11N2O2/c24-15-4-2-12(7-10(15)9-35)36-20(37)18-17(6-3-13(19(18)25)22(29,30)31)38-16-5-1-11(21(26,27)28)8-14(16)23(32,33)34/h1-8H,(H,36,37)
InChIKeyHZXJTGSXFDASJW-UHFFFAOYSA-N
XLogP7.94
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.32
LogP ≤ 57.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[3-chloro-2-fluoro-5-(trifluoromethyl)phenoxy]-N-(3-cyano-4-fluorophenyl)-2-fluoro-3-(trifluoromethyl)benzamide
CID 169097122
N-(3-cyano-4-methylphenyl)-2-fluoro-6-(4-fluoro-2-methylphenoxy)-3-(trifluoromethyl)benzamide
CID 169097107
N-(4-chloro-3-cyanophenyl)-2-fluoro-6-(4-fluoro-2-methylphenoxy)-3-(trifluoromethyl)benzamide
CID 169097081
N-(3-cyano-4-fluorophenyl)-2,4,6-trimethylbenzamide
CID 62315615
4-bromo-N-(3-cyano-4-fluorophenyl)-2-fluoro-6-(4-fluoro-2-methylphenoxy)benzamide
CID 169097118
N-(4-carbamoyl-3-fluorophenyl)-2-fluoro-6-[4-(trifluoromethoxy)phenoxy]-3-(trifluoromethyl)benzamide
CID 137406529
N-(4-carbamoylphenyl)-2-fluoro-6-[4-(trifluoromethoxy)phenoxy]-3-(trifluoromethyl)benzamide
CID 137410942
N-(4-carbamoyl-3-fluorophenyl)-2-fluoro-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]-3-(trifluoromethyl)benzamide
CID 137406615
N-(3-cyano-4-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 62315667
4-[[6-(3-chloro-4-fluorophenoxy)-2-fluoro-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
CID 167370790
N-(3-carbamoylphenyl)-2-fluoro-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]-3-(trifluoromethyl)benzamide
CID 137410906
propan-2-yl N-(3-cyano-4-fluorophenyl)carbamate
CID 62316495

Frequently Asked Questions

What is the IUPAC name of 6-[2,4-bis(trifluoromethyl)phenoxy]-N-(3-cyano-4-fluorophenyl)-2-fluoro-3-(trifluoromethyl)benzamide?
The IUPAC name of 6-[2,4-bis(trifluoromethyl)phenoxy]-N-(3-cyano-4-fluorophenyl)-2-fluoro-3-(trifluoromethyl)benzamide (CID 169097070) is 6-[2,4-bis(trifluoromethyl)phenoxy]-N-(3-cyano-4-fluorophenyl)-2-fluoro-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 6-[2,4-bis(trifluoromethyl)phenoxy]-N-(3-cyano-4-fluorophenyl)-2-fluoro-3-(trifluoromethyl)benzamide?
The canonical SMILES for 6-[2,4-bis(trifluoromethyl)phenoxy]-N-(3-cyano-4-fluorophenyl)-2-fluoro-3-(trifluoromethyl)benzamide is N#Cc1cc(NC(=O)c2c(Oc3ccc(C(F)(F)F)cc3C(F)(F)F)ccc(C(F)(F)F)c2F)ccc1F.
What is the InChIKey of 6-[2,4-bis(trifluoromethyl)phenoxy]-N-(3-cyano-4-fluorophenyl)-2-fluoro-3-(trifluoromethyl)benzamide?
The InChIKey is HZXJTGSXFDASJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H9F11N2O2/c24-15-4-2-12(7-10(15)9-35)36-20(37)18-17(6-3-13(19(18)25)22(29,30)31)38-16-5-1-11(21(26,27)28)8-14(16)23(32,33)34/h1-8H,(H,36,37).
What are the key properties of 6-[2,4-bis(trifluoromethyl)phenoxy]-N-(3-cyano-4-fluorophenyl)-2-fluoro-3-(trifluoromethyl)benzamide?
6-[2,4-bis(trifluoromethyl)phenoxy]-N-(3-cyano-4-fluorophenyl)-2-fluoro-3-(trifluoromethyl)benzamide has a molecular weight of 554.32 g/mol, XLogP of 7.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2,4-bis(trifluoromethyl)phenoxy]-N-(3-cyano-4-fluorophenyl)-2-fluoro-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 169097070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).