N-(4-chloro-3-cyanophenyl)-2-fluoro-6-(4-fluoro-2-methylphenoxy)-3-(trifluoromethyl)benzamide

C22H12ClF5N2O2 — CID 169097081

IUPACN-(4-chloro-3-cyanophenyl)-2-fluoro-6-(4-fluoro-2-methylphenoxy)-3-(trifluoromethyl)benzamide
SMILESCc1cc(F)ccc1Oc1ccc(C(F)(F)F)c(F)c1C(=O)Nc1ccc(Cl)c(C#N)c1
InChIInChI=1S/C22H12ClF5N2O2/c1-11-8-13(24)2-6-17(11)32-18-7-4-15(22(26,27)28)20(25)19(18)21(31)30-14-3-5-16(23)12(9-14)10-29/h2-9H,1H3,(H,30,31)
InChIKeyZBDYLDLVMUDMCF-UHFFFAOYSA-N
MW466.79 g/mol
LogP6.86
Rot. Bonds4

About N-(4-chloro-3-cyanophenyl)-2-fluoro-6-(4-fluoro-2-methylphenoxy)-3-(trifluoromethyl)benzamide

N-(4-chloro-3-cyanophenyl)-2-fluoro-6-(4-fluoro-2-methylphenoxy)-3-(trifluoromethyl)benzamide (PubChem CID 169097081) has the molecular formula C22H12ClF5N2O2 and a molecular weight of 466.79 g/mol. Its IUPAC name is N-(4-chloro-3-cyanophenyl)-2-fluoro-6-(4-fluoro-2-methylphenoxy)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(4-chloro-3-cyanophenyl)-2-fluoro-6-(4-fluoro-2-methylphenoxy)-3-(trifluoromethyl)benzamide
PubChem CID169097081
Molecular FormulaC22H12ClF5N2O2
Molecular Weight466.79 g/mol
Exact Mass466.05
IUPAC NameN-(4-chloro-3-cyanophenyl)-2-fluoro-6-(4-fluoro-2-methylphenoxy)-3-(trifluoromethyl)benzamide
SMILESCc1cc(F)ccc1Oc1ccc(C(F)(F)F)c(F)c1C(=O)Nc1ccc(Cl)c(C#N)c1
InChIInChI=1S/C22H12ClF5N2O2/c1-11-8-13(24)2-6-17(11)32-18-7-4-15(22(26,27)28)20(25)19(18)21(31)30-14-3-5-16(23)12(9-14)10-29/h2-9H,1H3,(H,30,31)
InChIKeyZBDYLDLVMUDMCF-UHFFFAOYSA-N
XLogP6.86
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.79
LogP ≤ 56.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-cyano-4-methylphenyl)-2-fluoro-6-(4-fluoro-2-methylphenoxy)-3-(trifluoromethyl)benzamide
CID 169097107
6-[3-chloro-2-fluoro-5-(trifluoromethyl)phenoxy]-N-(3-cyano-4-fluorophenyl)-2-fluoro-3-(trifluoromethyl)benzamide
CID 169097122
6-[2,4-bis(trifluoromethyl)phenoxy]-N-(3-cyano-4-fluorophenyl)-2-fluoro-3-(trifluoromethyl)benzamide
CID 169097070
4-bromo-N-(3-cyano-4-fluorophenyl)-2-fluoro-6-(4-fluoro-2-methylphenoxy)benzamide
CID 169097118
5-[[6-(2-chloro-4-fluorophenoxy)-2-methyl-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
CID 154645470
3-bromo-2-fluoro-6-(4-fluoro-2-methylphenoxy)-N-(1-oxidopyridin-1-ium-3-yl)-4-(trifluoromethyl)benzamide
CID 167320450
2-(4-fluoro-2-methylphenoxy)-4-(trifluoromethyl)benzonitrile
CID 163361366
methyl 5-[[5-cyclopropyl-2-(4-fluoro-2-methylphenoxy)-4-(trifluoromethyl)benzoyl]amino]-2-fluorobenzoate
CID 163361451
N-(3-acetyl-4-aminophenyl)-6-[3-chloro-4-(trifluoromethoxy)phenoxy]-2-fluoro-3-(trifluoromethyl)benzamide
CID 142516919
methyl 2-fluoro-5-[[2-(4-fluoro-2-methylphenoxy)-4-(trifluoromethyl)benzoyl]amino]benzoate
CID 163361420
N-(4-chloro-3-cyanophenyl)-2-fluoro-5-methylbenzamide
CID 62510457
N-(3-chloro-4-cyanophenyl)-5-fluoro-2-methoxybenzamide
CID 31115517

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-cyanophenyl)-2-fluoro-6-(4-fluoro-2-methylphenoxy)-3-(trifluoromethyl)benzamide?
The IUPAC name of N-(4-chloro-3-cyanophenyl)-2-fluoro-6-(4-fluoro-2-methylphenoxy)-3-(trifluoromethyl)benzamide (CID 169097081) is N-(4-chloro-3-cyanophenyl)-2-fluoro-6-(4-fluoro-2-methylphenoxy)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(4-chloro-3-cyanophenyl)-2-fluoro-6-(4-fluoro-2-methylphenoxy)-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-(4-chloro-3-cyanophenyl)-2-fluoro-6-(4-fluoro-2-methylphenoxy)-3-(trifluoromethyl)benzamide is Cc1cc(F)ccc1Oc1ccc(C(F)(F)F)c(F)c1C(=O)Nc1ccc(Cl)c(C#N)c1.
What is the InChIKey of N-(4-chloro-3-cyanophenyl)-2-fluoro-6-(4-fluoro-2-methylphenoxy)-3-(trifluoromethyl)benzamide?
The InChIKey is ZBDYLDLVMUDMCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H12ClF5N2O2/c1-11-8-13(24)2-6-17(11)32-18-7-4-15(22(26,27)28)20(25)19(18)21(31)30-14-3-5-16(23)12(9-14)10-29/h2-9H,1H3,(H,30,31).
What are the key properties of N-(4-chloro-3-cyanophenyl)-2-fluoro-6-(4-fluoro-2-methylphenoxy)-3-(trifluoromethyl)benzamide?
N-(4-chloro-3-cyanophenyl)-2-fluoro-6-(4-fluoro-2-methylphenoxy)-3-(trifluoromethyl)benzamide has a molecular weight of 466.79 g/mol, XLogP of 6.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-cyanophenyl)-2-fluoro-6-(4-fluoro-2-methylphenoxy)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 169097081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).