2-(2-chloro-4-methylphenoxy)-N-(3-oxocyclohexa-1,5-dien-1-yl)-5-(trifluoromethyl)benzamide;2-(2-fluoro-6-methoxyphenoxy)-N-(3-oxocyclohexa-1,5-dien-1-yl)-5-(trifluoromethyl)benzamide;2-(2-methoxy-4-methylphenoxy)-N-(3-oxocyclohexa-1,5-dien-1-yl)-5-(trifluoromethyl)benzamide

C64H48ClF10N3O11 — CID 158539711

IUPAC2-(2-chloro-4-methylphenoxy)-N-(3-oxocyclohexa-1,5-dien-1-yl)-5-(trifluoromethyl)benzamide;2-(2-fluoro-6-methoxyphenoxy)-N-(3-oxocyclohexa-1,5-dien-1-yl)-5-(trifluoromethyl)benzamide;2-(2-methoxy-4-methylphenoxy)-N-(3-oxocyclohexa-1,5-dien-1-yl)-5-(trifluoromethyl)benzamide
SMILESCOc1cc(C)ccc1Oc1ccc(C(F)(F)F)cc1C(=O)NC1=CC(=O)CC=C1.COc1cccc(F)c1Oc1ccc(C(F)(F)F)cc1C(=O)NC1=CC(=O)CC=C1.Cc1ccc(Oc2ccc(C(F)(F)F)cc2C(=O)NC2=CC(=O)CC=C2)c(Cl)c1
InChIInChI=1S/C22H18F3NO4.C21H15ClF3NO3.C21H15F4NO4/c1-13-6-8-19(20(10-13)29-2)30-18-9-7-14(22(23,24)25)11-17(18)21(28)26-15-4-3-5-16(27)12-15;1-12-5-7-19(17(22)9-12)29-18-8-6-13(21(23,24)25)10-16(18)20(28)26-14-3-2-4-15(27)11-14;1-29-18-7-3-6-16(22)19(18)30-17-9-8-12(21(23,24)25)10-15(17)20(28)26-13-4-2-5-14(27)11-13/h3-4,6-12H,5H2,1-2H3,(H,26,28);2-3,5-11H,4H2,1H3,(H,26,28);2-4,6-11H,5H2,1H3,(H,26,28)
InChIKeyHOJHSXAZZVEOSC-UHFFFAOYSA-N
MW1260.53 g/mol
LogP15.35
Rot. Bonds14

About 2-(2-chloro-4-methylphenoxy)-N-(3-oxocyclohexa-1,5-dien-1-yl)-5-(trifluoromethyl)benzamide;2-(2-fluoro-6-methoxyphenoxy)-N-(3-oxocyclohexa-1,5-dien-1-yl)-5-(trifluoromethyl)benzamide;2-(2-methoxy-4-methylphenoxy)-N-(3-oxocyclohexa-1,5-dien-1-yl)-5-(trifluoromethyl)benzamide

2-(2-chloro-4-methylphenoxy)-N-(3-oxocyclohexa-1,5-dien-1-yl)-5-(trifluoromethyl)benzamide;2-(2-fluoro-6-methoxyphenoxy)-N-(3-oxocyclohexa-1,5-dien-1-yl)-5-(trifluoromethyl)benzamide;2-(2-methoxy-4-methylphenoxy)-N-(3-oxocyclohexa-1,5-dien-1-yl)-5-(trifluoromethyl)benzamide (PubChem CID 158539711) has the molecular formula C64H48ClF10N3O11 and a molecular weight of 1260.53 g/mol. Its IUPAC name is 2-(2-chloro-4-methylphenoxy)-N-(3-oxocyclohexa-1,5-dien-1-yl)-5-(trifluoromethyl)benzamide;2-(2-fluoro-6-methoxyphenoxy)-N-(3-oxocyclohexa-1,5-dien-1-yl)-5-(trifluoromethyl)benzamide;2-(2-methoxy-4-methylphenoxy)-N-(3-oxocyclohexa-1,5-dien-1-yl)-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-(2-chloro-4-methylphenoxy)-N-(3-oxocyclohexa-1,5-dien-1-yl)-5-(trifluoromethyl)benzamide;2-(2-fluoro-6-methoxyphenoxy)-N-(3-oxocyclohexa-1,5-dien-1-yl)-5-(trifluoromethyl)benzamide;2-(2-methoxy-4-methylphenoxy)-N-(3-oxocyclohexa-1,5-dien-1-yl)-5-(trifluoromethyl)benzamide
PubChem CID158539711
Molecular FormulaC64H48ClF10N3O11
Molecular Weight1260.53 g/mol
Exact Mass1259.28
IUPAC Name2-(2-chloro-4-methylphenoxy)-N-(3-oxocyclohexa-1,5-dien-1-yl)-5-(trifluoromethyl)benzamide;2-(2-fluoro-6-methoxyphenoxy)-N-(3-oxocyclohexa-1,5-dien-1-yl)-5-(trifluoromethyl)benzamide;2-(2-methoxy-4-methylphenoxy)-N-(3-oxocyclohexa-1,5-dien-1-yl)-5-(trifluoromethyl)benzamide
SMILESCOc1cc(C)ccc1Oc1ccc(C(F)(F)F)cc1C(=O)NC1=CC(=O)CC=C1.COc1cccc(F)c1Oc1ccc(C(F)(F)F)cc1C(=O)NC1=CC(=O)CC=C1.Cc1ccc(Oc2ccc(C(F)(F)F)cc2C(=O)NC2=CC(=O)CC=C2)c(Cl)c1
InChIInChI=1S/C22H18F3NO4.C21H15ClF3NO3.C21H15F4NO4/c1-13-6-8-19(20(10-13)29-2)30-18-9-7-14(22(23,24)25)11-17(18)21(28)26-15-4-3-5-16(27)12-15;1-12-5-7-19(17(22)9-12)29-18-8-6-13(21(23,24)25)10-16(18)20(28)26-14-3-2-4-15(27)11-14;1-29-18-7-3-6-16(22)19(18)30-17-9-8-12(21(23,24)25)10-15(17)20(28)26-13-4-2-5-14(27)11-13/h3-4,6-12H,5H2,1-2H3,(H,26,28);2-3,5-11H,4H2,1H3,(H,26,28);2-4,6-11H,5H2,1H3,(H,26,28)
InChIKeyHOJHSXAZZVEOSC-UHFFFAOYSA-N
XLogP15.35
TPSA184.66 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds14
Heavy Atoms89
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001260.53
LogP ≤ 515.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze 2-(2-chloro-4-methylphenoxy)-N-(3-oxocyclohexa-1,5-dien-1-yl)-5-(trifluoromethyl)benzamide;2-(2-fluoro-6-methoxyphenoxy)-N-(3-oxocyclohexa-1,5-dien-1-yl)-5-(trifluoromethyl)benzamide;2-(2-methoxy-4-methylphenoxy)-N-(3-oxocyclohexa-1,5-dien-1-yl)-5-(trifluoromethyl)benzamide with MolForge

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Related Compounds

2-(2-chlorophenoxy)-N-(3-oxocyclohexa-1,5-dien-1-yl)-5-(trifluoromethyl)benzamide
CID 152995096
2-(2-chloro-4-fluorophenoxy)-N-(3-oxocyclohexa-1,5-dien-1-yl)-5-(trifluoromethoxy)benzamide;2-(2-fluoro-6-methylphenoxy)-N-(3-oxocyclohexa-1,5-dien-1-yl)-5-(trifluoromethoxy)benzamide;2-(4-fluorophenoxy)-N-(3-oxocyclohexa-1,5-dien-1-yl)-5-(trifluoromethoxy)benzamide
CID 161136525
5-chloro-2-(2-chloro-4-fluorophenoxy)-N-(3-oxocyclohexa-1,5-dien-1-yl)benzamide
CID 148566728
2-(4-methylphenoxy)-N-(3-oxocyclohexa-1,5-dien-1-yl)-4-(trifluoromethyl)benzamide
CID 152808883
2-(3-fluoro-2-methoxyphenoxy)-N-(8-oxa-2-azabicyclo[5.1.0]octa-3,5-dien-5-yl)-5-(trifluoromethyl)benzamide
CID 155416989
bis(5-chloro-2-[2-(difluoromethoxy)-4-fluorophenoxy]-N-(3-oxo-2H-pyridin-5-yl)-4-(trifluoromethyl)benzamide);5-chloro-2-fluoro-N-(3-oxocyclohexa-1,5-dien-1-yl)-4-(trifluoromethyl)benzamide;2-(difluoromethoxy)-4-fluoro-1-methoxybenzene;2-(difluoromethoxy)-4-fluorophenol;5-fluoro-2-methoxyphenol
CID 163545056
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methoxybenzamide
CID 871827
N-[[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2,3,5-trimethylphenyl]carbamoyl]-2,6-difluorobenzamide
CID 12817125
5-fluoro-2-methoxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 34754187
1-[2-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl]ethanone
CID 20571965
2-chloro-N-[[3,5-dichloro-4-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl]carbamoyl]benzamide
CID 19073039
N-[[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl]carbamoyl]-2-fluoro-6-methylbenzamide
CID 89130553

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-methylphenoxy)-N-(3-oxocyclohexa-1,5-dien-1-yl)-5-(trifluoromethyl)benzamide;2-(2-fluoro-6-methoxyphenoxy)-N-(3-oxocyclohexa-1,5-dien-1-yl)-5-(trifluoromethyl)benzamide;2-(2-methoxy-4-methylphenoxy)-N-(3-oxocyclohexa-1,5-dien-1-yl)-5-(trifluoromethyl)benzamide?
The IUPAC name of 2-(2-chloro-4-methylphenoxy)-N-(3-oxocyclohexa-1,5-dien-1-yl)-5-(trifluoromethyl)benzamide;2-(2-fluoro-6-methoxyphenoxy)-N-(3-oxocyclohexa-1,5-dien-1-yl)-5-(trifluoromethyl)benzamide;2-(2-methoxy-4-methylphenoxy)-N-(3-oxocyclohexa-1,5-dien-1-yl)-5-(trifluoromethyl)benzamide (CID 158539711) is 2-(2-chloro-4-methylphenoxy)-N-(3-oxocyclohexa-1,5-dien-1-yl)-5-(trifluoromethyl)benzamide;2-(2-fluoro-6-methoxyphenoxy)-N-(3-oxocyclohexa-1,5-dien-1-yl)-5-(trifluoromethyl)benzamide;2-(2-methoxy-4-methylphenoxy)-N-(3-oxocyclohexa-1,5-dien-1-yl)-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-(2-chloro-4-methylphenoxy)-N-(3-oxocyclohexa-1,5-dien-1-yl)-5-(trifluoromethyl)benzamide;2-(2-fluoro-6-methoxyphenoxy)-N-(3-oxocyclohexa-1,5-dien-1-yl)-5-(trifluoromethyl)benzamide;2-(2-methoxy-4-methylphenoxy)-N-(3-oxocyclohexa-1,5-dien-1-yl)-5-(trifluoromethyl)benzamide?
The canonical SMILES for 2-(2-chloro-4-methylphenoxy)-N-(3-oxocyclohexa-1,5-dien-1-yl)-5-(trifluoromethyl)benzamide;2-(2-fluoro-6-methoxyphenoxy)-N-(3-oxocyclohexa-1,5-dien-1-yl)-5-(trifluoromethyl)benzamide;2-(2-methoxy-4-methylphenoxy)-N-(3-oxocyclohexa-1,5-dien-1-yl)-5-(trifluoromethyl)benzamide is COc1cc(C)ccc1Oc1ccc(C(F)(F)F)cc1C(=O)NC1=CC(=O)CC=C1.COc1cccc(F)c1Oc1ccc(C(F)(F)F)cc1C(=O)NC1=CC(=O)CC=C1.Cc1ccc(Oc2ccc(C(F)(F)F)cc2C(=O)NC2=CC(=O)CC=C2)c(Cl)c1.
What is the InChIKey of 2-(2-chloro-4-methylphenoxy)-N-(3-oxocyclohexa-1,5-dien-1-yl)-5-(trifluoromethyl)benzamide;2-(2-fluoro-6-methoxyphenoxy)-N-(3-oxocyclohexa-1,5-dien-1-yl)-5-(trifluoromethyl)benzamide;2-(2-methoxy-4-methylphenoxy)-N-(3-oxocyclohexa-1,5-dien-1-yl)-5-(trifluoromethyl)benzamide?
The InChIKey is HOJHSXAZZVEOSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3NO4.C21H15ClF3NO3.C21H15F4NO4/c1-13-6-8-19(20(10-13)29-2)30-18-9-7-14(22(23,24)25)11-17(18)21(28)26-15-4-3-5-16(27)12-15;1-12-5-7-19(17(22)9-12)29-18-8-6-13(21(23,24)25)10-16(18)20(28)26-14-3-2-4-15(27)11-14;1-29-18-7-3-6-16(22)19(18)30-17-9-8-12(21(23,24)25)10-15(17)20(28)26-13-4-2-5-14(27)11-13/h3-4,6-12H,5H2,1-2H3,(H,26,28);2-3,5-11H,4H2,1H3,(H,26,28);2-4,6-11H,5H2,1H3,(H,26,28).
What are the key properties of 2-(2-chloro-4-methylphenoxy)-N-(3-oxocyclohexa-1,5-dien-1-yl)-5-(trifluoromethyl)benzamide;2-(2-fluoro-6-methoxyphenoxy)-N-(3-oxocyclohexa-1,5-dien-1-yl)-5-(trifluoromethyl)benzamide;2-(2-methoxy-4-methylphenoxy)-N-(3-oxocyclohexa-1,5-dien-1-yl)-5-(trifluoromethyl)benzamide?
2-(2-chloro-4-methylphenoxy)-N-(3-oxocyclohexa-1,5-dien-1-yl)-5-(trifluoromethyl)benzamide;2-(2-fluoro-6-methoxyphenoxy)-N-(3-oxocyclohexa-1,5-dien-1-yl)-5-(trifluoromethyl)benzamide;2-(2-methoxy-4-methylphenoxy)-N-(3-oxocyclohexa-1,5-dien-1-yl)-5-(trifluoromethyl)benzamide has a molecular weight of 1260.53 g/mol, XLogP of 15.35, 14 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-methylphenoxy)-N-(3-oxocyclohexa-1,5-dien-1-yl)-5-(trifluoromethyl)benzamide;2-(2-fluoro-6-methoxyphenoxy)-N-(3-oxocyclohexa-1,5-dien-1-yl)-5-(trifluoromethyl)benzamide;2-(2-methoxy-4-methylphenoxy)-N-(3-oxocyclohexa-1,5-dien-1-yl)-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 158539711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).