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

C76H49Cl3F23N5O16 — CID 163545056

IUPACbis(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
SMILESCOc1ccc(F)cc1O.COc1ccc(F)cc1OC(F)F.O=C1C=C(NC(=O)c2cc(Cl)c(C(F)(F)F)cc2F)C=CC1.O=C1C=C(NC(=O)c2cc(Cl)c(C(F)(F)F)cc2Oc2ccc(F)cc2OC(F)F)C=NC1.O=C1C=C(NC(=O)c2cc(Cl)c(C(F)(F)F)cc2Oc2ccc(F)cc2OC(F)F)C=NC1.Oc1ccc(F)cc1OC(F)F
InChIInChI=1S/2C20H11ClF6N2O4.C14H8ClF4NO2.C8H7F3O2.C7H5F3O2.C7H7FO2/c2*21-14-5-12(18(31)29-10-4-11(30)8-28-7-10)16(6-13(14)20(25,26)27)32-15-2-1-9(22)3-17(15)33-19(23)24;15-11-5-9(12(16)6-10(11)14(17,18)19)13(22)20-7-2-1-3-8(21)4-7;1-12-6-3-2-5(9)4-7(6)13-8(10)11;8-4-1-2-5(11)6(3-4)12-7(9)10;1-10-7-3-2-5(8)4-6(7)9/h2*1-7,19H,8H2,(H,29,31);1-2,4-6H,3H2,(H,20,22);2-4,8H,1H3;1-3,7,11H;2-4,9H,1H3
InChIKeyFEIXZWRWDCFPEU-UHFFFAOYSA-N
MW1831.56 g/mol
LogP20.07
Rot. Bonds20

About 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

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 (PubChem CID 163545056) has the molecular formula C76H49Cl3F23N5O16 and a molecular weight of 1831.56 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namebis(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
PubChem CID163545056
Molecular FormulaC76H49Cl3F23N5O16
Molecular Weight1831.56 g/mol
Exact Mass1829.19
IUPAC Namebis(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
SMILESCOc1ccc(F)cc1O.COc1ccc(F)cc1OC(F)F.O=C1C=C(NC(=O)c2cc(Cl)c(C(F)(F)F)cc2F)C=CC1.O=C1C=C(NC(=O)c2cc(Cl)c(C(F)(F)F)cc2Oc2ccc(F)cc2OC(F)F)C=NC1.O=C1C=C(NC(=O)c2cc(Cl)c(C(F)(F)F)cc2Oc2ccc(F)cc2OC(F)F)C=NC1.Oc1ccc(F)cc1OC(F)F
InChIInChI=1S/2C20H11ClF6N2O4.C14H8ClF4NO2.C8H7F3O2.C7H5F3O2.C7H7FO2/c2*21-14-5-12(18(31)29-10-4-11(30)8-28-7-10)16(6-13(14)20(25,26)27)32-15-2-1-9(22)3-17(15)33-19(23)24;15-11-5-9(12(16)6-10(11)14(17,18)19)13(22)20-7-2-1-3-8(21)4-7;1-12-6-3-2-5(9)4-7(6)13-8(10)11;8-4-1-2-5(11)6(3-4)12-7(9)10;1-10-7-3-2-5(8)4-6(7)9/h2*1-7,19H,8H2,(H,29,31);1-2,4-6H,3H2,(H,20,22);2-4,8H,1H3;1-3,7,11H;2-4,9H,1H3
InChIKeyFEIXZWRWDCFPEU-UHFFFAOYSA-N
XLogP20.07
TPSA277.53 Ų
H-Bond Donors5
H-Bond Acceptors18
Rotatable Bonds20
Heavy Atoms123
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001831.56
LogP ≤ 520.07
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1018

Analyze 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 with MolForge

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Related Compounds

5-chloro-2-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxy]-N-(3-oxo-2H-pyridin-5-yl)-4-(trifluoromethyl)benzamide
CID 163812188
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-fluorophenoxy)-N-(3-oxocyclohexa-1,5-dien-1-yl)-5-(trifluoromethoxy)benzamide
CID 147895425
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
N-(4-carbamoylphenyl)-4,5-dichloro-2-(4-fluoro-2-methoxyphenoxy)benzamide
CID 137406676
5-chloro-2-[4-fluoro-2-(trifluoromethoxy)phenoxy]-N-(1-hydroxypyridin-1-ium-3-yl)-4-(trifluoromethyl)benzamide
CID 167320519
2-(4-methylphenoxy)-N-(3-oxocyclohexa-1,5-dien-1-yl)-4-(trifluoromethyl)benzamide
CID 152808883
tert-butyl 4-[[4-[[5-chloro-2-(4-fluoro-2-methylphenoxy)-4-(trifluoromethyl)benzoyl]amino]-2-pyridinyl]sulfonylamino]piperidine-1-carboxylate
CID 176866190
methyl 2-[(2,5-difluorobenzoyl)amino]-4-(difluoromethoxy)-5-methoxybenzoate
CID 55519622
N-[2-(difluoromethoxy)phenyl]-5-fluoro-2-methoxybenzamide
CID 31079743

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1ccc(F)cc1O.COc1ccc(F)cc1OC(F)F.O=C1C=C(NC(=O)c2cc(Cl)c(C(F)(F)F)cc2F)C=CC1.O=C1C=C(NC(=O)c2cc(Cl)c(C(F)(F)F)cc2Oc2ccc(F)cc2OC(F)F)C=NC1.O=C1C=C(NC(=O)c2cc(Cl)c(C(F)(F)F)cc2Oc2ccc(F)cc2OC(F)F)C=NC1.Oc1ccc(F)cc1OC(F)F.
What is the InChIKey of 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?
The InChIKey is FEIXZWRWDCFPEU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H11ClF6N2O4.C14H8ClF4NO2.C8H7F3O2.C7H5F3O2.C7H7FO2/c2*21-14-5-12(18(31)29-10-4-11(30)8-28-7-10)16(6-13(14)20(25,26)27)32-15-2-1-9(22)3-17(15)33-19(23)24;15-11-5-9(12(16)6-10(11)14(17,18)19)13(22)20-7-2-1-3-8(21)4-7;1-12-6-3-2-5(9)4-7(6)13-8(10)11;8-4-1-2-5(11)6(3-4)12-7(9)10;1-10-7-3-2-5(8)4-6(7)9/h2*1-7,19H,8H2,(H,29,31);1-2,4-6H,3H2,(H,20,22);2-4,8H,1H3;1-3,7,11H;2-4,9H,1H3.
What are the key properties of 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?
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 has a molecular weight of 1831.56 g/mol, XLogP of 20.07, 20 rotatable bonds, 5 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 163545056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).