N-ethyl-4-[(2Z)-2-(fluoromethylidene)butoxy]-N-methylbenzamide;1-[(2Z)-2-(fluoromethylidene)butoxy]-4-(2-methylpropylsulfonyl)benzene;1-[(2E)-2-(fluoromethylidene)butoxy]-4-(2-methylpropylsulfonyl)benzene;1-[4-[(2E)-2-(fluoromethylidene)butoxy]phenyl]-3,3-dimethylbutan-1-one;1-[(2Z)-2-(fluoromethylidene)butoxy]-4-propylsulfonylbenzene

C76H104F5NO13S3 — CID 158190410

IUPACN-ethyl-4-[(2Z)-2-(fluoromethylidene)butoxy]-N-methylbenzamide;1-[(2Z)-2-(fluoromethylidene)butoxy]-4-(2-methylpropylsulfonyl)benzene;1-[(2E)-2-(fluoromethylidene)butoxy]-4-(2-methylpropylsulfonyl)benzene;1-[4-[(2E)-2-(fluoromethylidene)butoxy]phenyl]-3,3-dimethylbutan-1-one;1-[(2Z)-2-(fluoromethylidene)butoxy]-4-propylsulfonylbenzene
SMILESCC/C(=C/F)COc1ccc(C(=O)N(C)CC)cc1.CC/C(=C/F)COc1ccc(S(=O)(=O)CC(C)C)cc1.CC/C(=C\F)COc1ccc(C(=O)CC(C)(C)C)cc1.CC/C(=C\F)COc1ccc(S(=O)(=O)CC(C)C)cc1.CCCS(=O)(=O)c1ccc(OC/C(=C\F)CC)cc1
InChIInChI=1S/C17H23FO2.C15H20FNO2.2C15H21FO3S.C14H19FO3S/c1-5-13(11-18)12-20-15-8-6-14(7-9-15)16(19)10-17(2,3)4;1-4-12(10-16)11-19-14-8-6-13(7-9-14)15(18)17(3)5-2;2*1-4-13(9-16)10-19-14-5-7-15(8-6-14)20(17,18)11-12(2)3;1-3-9-19(16,17)14-7-5-13(6-8-14)18-11-12(4-2)10-15/h6-9,11H,5,10,12H2,1-4H3;6-10H,4-5,11H2,1-3H3;2*5-9,12H,4,10-11H2,1-3H3;5-8,10H,3-4,9,11H2,1-2H3/b13-11+;12-10-;13-9+;13-9-;12-10-
InChIKeyFZRKUJATKCVCIO-UTADZHALSA-N
MW1430.85 g/mol
LogP19.40
Rot. Bonds33

About N-ethyl-4-[(2Z)-2-(fluoromethylidene)butoxy]-N-methylbenzamide;1-[(2Z)-2-(fluoromethylidene)butoxy]-4-(2-methylpropylsulfonyl)benzene;1-[(2E)-2-(fluoromethylidene)butoxy]-4-(2-methylpropylsulfonyl)benzene;1-[4-[(2E)-2-(fluoromethylidene)butoxy]phenyl]-3,3-dimethylbutan-1-one;1-[(2Z)-2-(fluoromethylidene)butoxy]-4-propylsulfonylbenzene

N-ethyl-4-[(2Z)-2-(fluoromethylidene)butoxy]-N-methylbenzamide;1-[(2Z)-2-(fluoromethylidene)butoxy]-4-(2-methylpropylsulfonyl)benzene;1-[(2E)-2-(fluoromethylidene)butoxy]-4-(2-methylpropylsulfonyl)benzene;1-[4-[(2E)-2-(fluoromethylidene)butoxy]phenyl]-3,3-dimethylbutan-1-one;1-[(2Z)-2-(fluoromethylidene)butoxy]-4-propylsulfonylbenzene (PubChem CID 158190410) has the molecular formula C76H104F5NO13S3 and a molecular weight of 1430.85 g/mol. Its IUPAC name is N-ethyl-4-[(2Z)-2-(fluoromethylidene)butoxy]-N-methylbenzamide;1-[(2Z)-2-(fluoromethylidene)butoxy]-4-(2-methylpropylsulfonyl)benzene;1-[(2E)-2-(fluoromethylidene)butoxy]-4-(2-methylpropylsulfonyl)benzene;1-[4-[(2E)-2-(fluoromethylidene)butoxy]phenyl]-3,3-dimethylbutan-1-one;1-[(2Z)-2-(fluoromethylidene)butoxy]-4-propylsulfonylbenzene.

Molecular Properties

Compound NameN-ethyl-4-[(2Z)-2-(fluoromethylidene)butoxy]-N-methylbenzamide;1-[(2Z)-2-(fluoromethylidene)butoxy]-4-(2-methylpropylsulfonyl)benzene;1-[(2E)-2-(fluoromethylidene)butoxy]-4-(2-methylpropylsulfonyl)benzene;1-[4-[(2E)-2-(fluoromethylidene)butoxy]phenyl]-3,3-dimethylbutan-1-one;1-[(2Z)-2-(fluoromethylidene)butoxy]-4-propylsulfonylbenzene
PubChem CID158190410
Molecular FormulaC76H104F5NO13S3
Molecular Weight1430.85 g/mol
Exact Mass1429.66
IUPAC NameN-ethyl-4-[(2Z)-2-(fluoromethylidene)butoxy]-N-methylbenzamide;1-[(2Z)-2-(fluoromethylidene)butoxy]-4-(2-methylpropylsulfonyl)benzene;1-[(2E)-2-(fluoromethylidene)butoxy]-4-(2-methylpropylsulfonyl)benzene;1-[4-[(2E)-2-(fluoromethylidene)butoxy]phenyl]-3,3-dimethylbutan-1-one;1-[(2Z)-2-(fluoromethylidene)butoxy]-4-propylsulfonylbenzene
SMILESCC/C(=C/F)COc1ccc(C(=O)N(C)CC)cc1.CC/C(=C/F)COc1ccc(S(=O)(=O)CC(C)C)cc1.CC/C(=C\F)COc1ccc(C(=O)CC(C)(C)C)cc1.CC/C(=C\F)COc1ccc(S(=O)(=O)CC(C)C)cc1.CCCS(=O)(=O)c1ccc(OC/C(=C\F)CC)cc1
InChIInChI=1S/C17H23FO2.C15H20FNO2.2C15H21FO3S.C14H19FO3S/c1-5-13(11-18)12-20-15-8-6-14(7-9-15)16(19)10-17(2,3)4;1-4-12(10-16)11-19-14-8-6-13(7-9-14)15(18)17(3)5-2;2*1-4-13(9-16)10-19-14-5-7-15(8-6-14)20(17,18)11-12(2)3;1-3-9-19(16,17)14-7-5-13(6-8-14)18-11-12(4-2)10-15/h6-9,11H,5,10,12H2,1-4H3;6-10H,4-5,11H2,1-3H3;2*5-9,12H,4,10-11H2,1-3H3;5-8,10H,3-4,9,11H2,1-2H3/b13-11+;12-10-;13-9+;13-9-;12-10-
InChIKeyFZRKUJATKCVCIO-UTADZHALSA-N
XLogP19.40
TPSA185.95 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds33
Heavy Atoms98
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001430.85
LogP ≤ 519.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze N-ethyl-4-[(2Z)-2-(fluoromethylidene)butoxy]-N-methylbenzamide;1-[(2Z)-2-(fluoromethylidene)butoxy]-4-(2-methylpropylsulfonyl)benzene;1-[(2E)-2-(fluoromethylidene)butoxy]-4-(2-methylpropylsulfonyl)benzene;1-[4-[(2E)-2-(fluoromethylidene)butoxy]phenyl]-3,3-dimethylbutan-1-one;1-[(2Z)-2-(fluoromethylidene)butoxy]-4-propylsulfonylbenzene with MolForge

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Related Compounds

1-(2,2-dimethylpropylsulfonyl)-4-[(2Z)-2-(fluoromethylidene)butoxy]benzene
CID 159986554
1-[4-[(2E)-2-(fluoromethylidene)butoxy]phenyl]propan-1-one
CID 158571654
4-[(2Z)-2-(fluoromethylidene)butoxy]-N-methyl-N-propan-2-ylbenzenesulfonamide
CID 122497218
tert-butyl (E)-4-[[4-[2,2-dimethyl-3-[methyl(2-methylpropanoyl)amino]propyl]sulfonylphenoxy]methyl]-5-fluoropent-4-enoate
CID 161410788
N-ethyl-N-methyl-2-(4-propanoylphenoxy)acetamide
CID 43243911
3,3-dimethyl-1-[4-(3-oxobutoxy)phenyl]butan-1-one
CID 59531109
tert-butyl N-[2-[[4-(dimethylsulfamoyl)phenoxy]methyl]-3-fluoroprop-2-enyl]carbamate
CID 123407065
N-(2-hydroxy-2-methylpropyl)-N-methyl-4-(2-methylpropoxy)benzamide
CID 79381593
4-[(4-ethoxyphenyl)sulfamoyl]-N-methyl-N-(2-methylpropyl)benzamide
CID 134063378
tert-butyl (E)-5-fluoro-4-[[4-[(6-oxo-1-propan-2-ylpyridazin-3-yl)methylsulfonyl]phenoxy]methyl]pent-4-enoate
CID 160803357
1-(4-hexylsulfonylphenyl)-3-methylbutan-1-one
CID 94780157
4-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-N-ethylbenzenesulfonamide
CID 118117193

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[(2Z)-2-(fluoromethylidene)butoxy]-N-methylbenzamide;1-[(2Z)-2-(fluoromethylidene)butoxy]-4-(2-methylpropylsulfonyl)benzene;1-[(2E)-2-(fluoromethylidene)butoxy]-4-(2-methylpropylsulfonyl)benzene;1-[4-[(2E)-2-(fluoromethylidene)butoxy]phenyl]-3,3-dimethylbutan-1-one;1-[(2Z)-2-(fluoromethylidene)butoxy]-4-propylsulfonylbenzene?
The IUPAC name of N-ethyl-4-[(2Z)-2-(fluoromethylidene)butoxy]-N-methylbenzamide;1-[(2Z)-2-(fluoromethylidene)butoxy]-4-(2-methylpropylsulfonyl)benzene;1-[(2E)-2-(fluoromethylidene)butoxy]-4-(2-methylpropylsulfonyl)benzene;1-[4-[(2E)-2-(fluoromethylidene)butoxy]phenyl]-3,3-dimethylbutan-1-one;1-[(2Z)-2-(fluoromethylidene)butoxy]-4-propylsulfonylbenzene (CID 158190410) is N-ethyl-4-[(2Z)-2-(fluoromethylidene)butoxy]-N-methylbenzamide;1-[(2Z)-2-(fluoromethylidene)butoxy]-4-(2-methylpropylsulfonyl)benzene;1-[(2E)-2-(fluoromethylidene)butoxy]-4-(2-methylpropylsulfonyl)benzene;1-[4-[(2E)-2-(fluoromethylidene)butoxy]phenyl]-3,3-dimethylbutan-1-one;1-[(2Z)-2-(fluoromethylidene)butoxy]-4-propylsulfonylbenzene.
What is the SMILES notation for N-ethyl-4-[(2Z)-2-(fluoromethylidene)butoxy]-N-methylbenzamide;1-[(2Z)-2-(fluoromethylidene)butoxy]-4-(2-methylpropylsulfonyl)benzene;1-[(2E)-2-(fluoromethylidene)butoxy]-4-(2-methylpropylsulfonyl)benzene;1-[4-[(2E)-2-(fluoromethylidene)butoxy]phenyl]-3,3-dimethylbutan-1-one;1-[(2Z)-2-(fluoromethylidene)butoxy]-4-propylsulfonylbenzene?
The canonical SMILES for N-ethyl-4-[(2Z)-2-(fluoromethylidene)butoxy]-N-methylbenzamide;1-[(2Z)-2-(fluoromethylidene)butoxy]-4-(2-methylpropylsulfonyl)benzene;1-[(2E)-2-(fluoromethylidene)butoxy]-4-(2-methylpropylsulfonyl)benzene;1-[4-[(2E)-2-(fluoromethylidene)butoxy]phenyl]-3,3-dimethylbutan-1-one;1-[(2Z)-2-(fluoromethylidene)butoxy]-4-propylsulfonylbenzene is CC/C(=C/F)COc1ccc(C(=O)N(C)CC)cc1.CC/C(=C/F)COc1ccc(S(=O)(=O)CC(C)C)cc1.CC/C(=C\F)COc1ccc(C(=O)CC(C)(C)C)cc1.CC/C(=C\F)COc1ccc(S(=O)(=O)CC(C)C)cc1.CCCS(=O)(=O)c1ccc(OC/C(=C\F)CC)cc1.
What is the InChIKey of N-ethyl-4-[(2Z)-2-(fluoromethylidene)butoxy]-N-methylbenzamide;1-[(2Z)-2-(fluoromethylidene)butoxy]-4-(2-methylpropylsulfonyl)benzene;1-[(2E)-2-(fluoromethylidene)butoxy]-4-(2-methylpropylsulfonyl)benzene;1-[4-[(2E)-2-(fluoromethylidene)butoxy]phenyl]-3,3-dimethylbutan-1-one;1-[(2Z)-2-(fluoromethylidene)butoxy]-4-propylsulfonylbenzene?
The InChIKey is FZRKUJATKCVCIO-UTADZHALSA-N. The full InChI is InChI=1S/C17H23FO2.C15H20FNO2.2C15H21FO3S.C14H19FO3S/c1-5-13(11-18)12-20-15-8-6-14(7-9-15)16(19)10-17(2,3)4;1-4-12(10-16)11-19-14-8-6-13(7-9-14)15(18)17(3)5-2;2*1-4-13(9-16)10-19-14-5-7-15(8-6-14)20(17,18)11-12(2)3;1-3-9-19(16,17)14-7-5-13(6-8-14)18-11-12(4-2)10-15/h6-9,11H,5,10,12H2,1-4H3;6-10H,4-5,11H2,1-3H3;2*5-9,12H,4,10-11H2,1-3H3;5-8,10H,3-4,9,11H2,1-2H3/b13-11+;12-10-;13-9+;13-9-;12-10-.
What are the key properties of N-ethyl-4-[(2Z)-2-(fluoromethylidene)butoxy]-N-methylbenzamide;1-[(2Z)-2-(fluoromethylidene)butoxy]-4-(2-methylpropylsulfonyl)benzene;1-[(2E)-2-(fluoromethylidene)butoxy]-4-(2-methylpropylsulfonyl)benzene;1-[4-[(2E)-2-(fluoromethylidene)butoxy]phenyl]-3,3-dimethylbutan-1-one;1-[(2Z)-2-(fluoromethylidene)butoxy]-4-propylsulfonylbenzene?
N-ethyl-4-[(2Z)-2-(fluoromethylidene)butoxy]-N-methylbenzamide;1-[(2Z)-2-(fluoromethylidene)butoxy]-4-(2-methylpropylsulfonyl)benzene;1-[(2E)-2-(fluoromethylidene)butoxy]-4-(2-methylpropylsulfonyl)benzene;1-[4-[(2E)-2-(fluoromethylidene)butoxy]phenyl]-3,3-dimethylbutan-1-one;1-[(2Z)-2-(fluoromethylidene)butoxy]-4-propylsulfonylbenzene has a molecular weight of 1430.85 g/mol, XLogP of 19.40, 33 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[(2Z)-2-(fluoromethylidene)butoxy]-N-methylbenzamide;1-[(2Z)-2-(fluoromethylidene)butoxy]-4-(2-methylpropylsulfonyl)benzene;1-[(2E)-2-(fluoromethylidene)butoxy]-4-(2-methylpropylsulfonyl)benzene;1-[4-[(2E)-2-(fluoromethylidene)butoxy]phenyl]-3,3-dimethylbutan-1-one;1-[(2Z)-2-(fluoromethylidene)butoxy]-4-propylsulfonylbenzene is sourced from PubChem (CID 158190410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).