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

C61H40ClF12N3O12 — CID 161136525

IUPAC2-(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
SMILESCc1cccc(F)c1Oc1ccc(OC(F)(F)F)cc1C(=O)NC1=CC(=O)CC=C1.O=C1C=C(NC(=O)c2cc(OC(F)(F)F)ccc2Oc2ccc(F)cc2)C=CC1.O=C1C=C(NC(=O)c2cc(OC(F)(F)F)ccc2Oc2ccc(F)cc2Cl)C=CC1
InChIInChI=1S/C21H15F4NO4.C20H12ClF4NO4.C20H13F4NO4/c1-12-4-2-7-17(22)19(12)29-18-9-8-15(30-21(23,24)25)11-16(18)20(28)26-13-5-3-6-14(27)10-13;21-16-8-11(22)4-6-18(16)29-17-7-5-14(30-20(23,24)25)10-15(17)19(28)26-12-2-1-3-13(27)9-12;21-12-4-6-15(7-5-12)28-18-9-8-16(29-20(22,23)24)11-17(18)19(27)25-13-2-1-3-14(26)10-13/h2-5,7-11H,6H2,1H3,(H,26,28);1-2,4-10H,3H2,(H,26,28);1-2,4-11H,3H2,(H,25,27)
InChIKeyUMWIZTWZYBVWMP-UHFFFAOYSA-N
MW1270.43 g/mol
LogP14.94
Rot. Bonds15

About 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

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 (PubChem CID 161136525) has the molecular formula C61H40ClF12N3O12 and a molecular weight of 1270.43 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(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
PubChem CID161136525
Molecular FormulaC61H40ClF12N3O12
Molecular Weight1270.43 g/mol
Exact Mass1269.21
IUPAC Name2-(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
SMILESCc1cccc(F)c1Oc1ccc(OC(F)(F)F)cc1C(=O)NC1=CC(=O)CC=C1.O=C1C=C(NC(=O)c2cc(OC(F)(F)F)ccc2Oc2ccc(F)cc2)C=CC1.O=C1C=C(NC(=O)c2cc(OC(F)(F)F)ccc2Oc2ccc(F)cc2Cl)C=CC1
InChIInChI=1S/C21H15F4NO4.C20H12ClF4NO4.C20H13F4NO4/c1-12-4-2-7-17(22)19(12)29-18-9-8-15(30-21(23,24)25)11-16(18)20(28)26-13-5-3-6-14(27)10-13;21-16-8-11(22)4-6-18(16)29-17-7-5-14(30-20(23,24)25)10-15(17)19(28)26-12-2-1-3-13(27)9-12;21-12-4-6-15(7-5-12)28-18-9-8-16(29-20(22,23)24)11-17(18)19(27)25-13-2-1-3-14(26)10-13/h2-5,7-11H,6H2,1H3,(H,26,28);1-2,4-10H,3H2,(H,26,28);1-2,4-11H,3H2,(H,25,27)
InChIKeyUMWIZTWZYBVWMP-UHFFFAOYSA-N
XLogP14.94
TPSA193.89 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds15
Heavy Atoms89
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001270.43
LogP ≤ 514.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Analyze 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 with MolForge

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Related Compounds

2-(4-fluorophenoxy)-N-(3-oxocyclohexa-1,5-dien-1-yl)-5-(trifluoromethoxy)benzamide
CID 147895425
5-chloro-2-(2-chloro-4-fluorophenoxy)-N-(3-oxocyclohexa-1,5-dien-1-yl)benzamide
CID 148566728
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
2-(2-chlorophenoxy)-N-(3-oxocyclohexa-1,5-dien-1-yl)-5-(trifluoromethyl)benzamide
CID 152995096
2-(4-methylphenoxy)-N-(3-oxocyclohexa-1,5-dien-1-yl)-4-(trifluoromethyl)benzamide
CID 152808883
N-[[3-chloro-4-(2-chloro-4-fluorophenoxy)-2,5-dimethylphenyl]carbamoyl]-2,6-difluorobenzamide
CID 14626084
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
2-(2,6-difluorophenoxy)-N-[(1Z,3E)-1-(methylamino)-5-oxopenta-1,3-dien-3-yl]-5-(trifluoromethoxy)benzamide
CID 126636559
2-chloro-4-fluoro-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 26643241
N-[[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl]carbamoyl]-2-fluoro-6-methylbenzamide
CID 89130553
4-methylphenol;2-(4-methylphenoxy)-N-(2-oxo-1H-pyridin-4-yl)-5-(trifluoromethoxy)benzamide
CID 157153109
4,5-dichloro-N-(1-oxidopyridin-1-ium-3-yl)-2-[4-(trifluoromethoxy)phenoxy]benzamide
CID 167320453

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cccc(F)c1Oc1ccc(OC(F)(F)F)cc1C(=O)NC1=CC(=O)CC=C1.O=C1C=C(NC(=O)c2cc(OC(F)(F)F)ccc2Oc2ccc(F)cc2)C=CC1.O=C1C=C(NC(=O)c2cc(OC(F)(F)F)ccc2Oc2ccc(F)cc2Cl)C=CC1.
What is the InChIKey of 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?
The InChIKey is UMWIZTWZYBVWMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F4NO4.C20H12ClF4NO4.C20H13F4NO4/c1-12-4-2-7-17(22)19(12)29-18-9-8-15(30-21(23,24)25)11-16(18)20(28)26-13-5-3-6-14(27)10-13;21-16-8-11(22)4-6-18(16)29-17-7-5-14(30-20(23,24)25)10-15(17)19(28)26-12-2-1-3-13(27)9-12;21-12-4-6-15(7-5-12)28-18-9-8-16(29-20(22,23)24)11-17(18)19(27)25-13-2-1-3-14(26)10-13/h2-5,7-11H,6H2,1H3,(H,26,28);1-2,4-10H,3H2,(H,26,28);1-2,4-11H,3H2,(H,25,27).
What are the key properties of 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?
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 has a molecular weight of 1270.43 g/mol, XLogP of 14.94, 15 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161136525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).