1-(difluoromethoxy)-2-ethylbenzene;4-ethyl-2-fluoro-1-methylbenzene;1-ethyl-4-methoxybenzene;N-(4-ethylphenyl)cyclopropanecarboxamide;2-(4-ethylphenyl)-1,3-dioxolane;1-[(2-ethylphenyl)methyl]pyrrolidine;1-fluoro-4-methylbenzene

C70H88F4N2O5 — CID 159438184

IUPAC1-(difluoromethoxy)-2-ethylbenzene;4-ethyl-2-fluoro-1-methylbenzene;1-ethyl-4-methoxybenzene;N-(4-ethylphenyl)cyclopropanecarboxamide;2-(4-ethylphenyl)-1,3-dioxolane;1-[(2-ethylphenyl)methyl]pyrrolidine;1-fluoro-4-methylbenzene
SMILESCCc1ccc(C)c(F)c1.CCc1ccc(C2OCCO2)cc1.CCc1ccc(NC(=O)C2CC2)cc1.CCc1ccc(OC)cc1.CCc1ccccc1CN1CCCC1.CCc1ccccc1OC(F)F.Cc1ccc(F)cc1
InChIInChI=1S/C13H19N.C12H15NO.C11H14O2.C9H10F2O.C9H11F.C9H12O.C7H7F/c1-2-12-7-3-4-8-13(12)11-14-9-5-6-10-14;1-2-9-3-7-11(8-4-9)13-12(14)10-5-6-10;1-2-9-3-5-10(6-4-9)11-12-7-8-13-11;1-2-7-5-3-4-6-8(7)12-9(10)11;1-3-8-5-4-7(2)9(10)6-8;1-3-8-4-6-9(10-2)7-5-8;1-6-2-4-7(8)5-3-6/h3-4,7-8H,2,5-6,9-11H2,1H3;3-4,7-8,10H,2,5-6H2,1H3,(H,13,14);3-6,11H,2,7-8H2,1H3;3-6,9H,2H2,1H3;4-6H,3H2,1-2H3;4-7H,3H2,1-2H3;2-5H,1H3
InChIKeyLRVMOWQPQBOLPG-UHFFFAOYSA-N
MW1113.47 g/mol
LogP17.68
Rot. Bonds14

About 1-(difluoromethoxy)-2-ethylbenzene;4-ethyl-2-fluoro-1-methylbenzene;1-ethyl-4-methoxybenzene;N-(4-ethylphenyl)cyclopropanecarboxamide;2-(4-ethylphenyl)-1,3-dioxolane;1-[(2-ethylphenyl)methyl]pyrrolidine;1-fluoro-4-methylbenzene

1-(difluoromethoxy)-2-ethylbenzene;4-ethyl-2-fluoro-1-methylbenzene;1-ethyl-4-methoxybenzene;N-(4-ethylphenyl)cyclopropanecarboxamide;2-(4-ethylphenyl)-1,3-dioxolane;1-[(2-ethylphenyl)methyl]pyrrolidine;1-fluoro-4-methylbenzene (PubChem CID 159438184) has the molecular formula C70H88F4N2O5 and a molecular weight of 1113.47 g/mol. Its IUPAC name is 1-(difluoromethoxy)-2-ethylbenzene;4-ethyl-2-fluoro-1-methylbenzene;1-ethyl-4-methoxybenzene;N-(4-ethylphenyl)cyclopropanecarboxamide;2-(4-ethylphenyl)-1,3-dioxolane;1-[(2-ethylphenyl)methyl]pyrrolidine;1-fluoro-4-methylbenzene.

Molecular Properties

Compound Name1-(difluoromethoxy)-2-ethylbenzene;4-ethyl-2-fluoro-1-methylbenzene;1-ethyl-4-methoxybenzene;N-(4-ethylphenyl)cyclopropanecarboxamide;2-(4-ethylphenyl)-1,3-dioxolane;1-[(2-ethylphenyl)methyl]pyrrolidine;1-fluoro-4-methylbenzene
PubChem CID159438184
Molecular FormulaC70H88F4N2O5
Molecular Weight1113.47 g/mol
Exact Mass1112.66
IUPAC Name1-(difluoromethoxy)-2-ethylbenzene;4-ethyl-2-fluoro-1-methylbenzene;1-ethyl-4-methoxybenzene;N-(4-ethylphenyl)cyclopropanecarboxamide;2-(4-ethylphenyl)-1,3-dioxolane;1-[(2-ethylphenyl)methyl]pyrrolidine;1-fluoro-4-methylbenzene
SMILESCCc1ccc(C)c(F)c1.CCc1ccc(C2OCCO2)cc1.CCc1ccc(NC(=O)C2CC2)cc1.CCc1ccc(OC)cc1.CCc1ccccc1CN1CCCC1.CCc1ccccc1OC(F)F.Cc1ccc(F)cc1
InChIInChI=1S/C13H19N.C12H15NO.C11H14O2.C9H10F2O.C9H11F.C9H12O.C7H7F/c1-2-12-7-3-4-8-13(12)11-14-9-5-6-10-14;1-2-9-3-7-11(8-4-9)13-12(14)10-5-6-10;1-2-9-3-5-10(6-4-9)11-12-7-8-13-11;1-2-7-5-3-4-6-8(7)12-9(10)11;1-3-8-5-4-7(2)9(10)6-8;1-3-8-4-6-9(10-2)7-5-8;1-6-2-4-7(8)5-3-6/h3-4,7-8H,2,5-6,9-11H2,1H3;3-4,7-8,10H,2,5-6H2,1H3,(H,13,14);3-6,11H,2,7-8H2,1H3;3-6,9H,2H2,1H3;4-6H,3H2,1-2H3;4-7H,3H2,1-2H3;2-5H,1H3
InChIKeyLRVMOWQPQBOLPG-UHFFFAOYSA-N
XLogP17.68
TPSA69.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001113.47
LogP ≤ 517.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(difluoromethoxy)-2-ethylbenzene;4-ethyl-2-fluoro-1-methylbenzene;1-ethyl-4-methoxybenzene;N-(4-ethylphenyl)cyclopropanecarboxamide;2-(4-ethylphenyl)-1,3-dioxolane;1-[(2-ethylphenyl)methyl]pyrrolidine;1-fluoro-4-methylbenzene with MolForge

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Related Compounds

N-(4-methoxyphenyl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 53284727
1-[(2-chlorophenyl)methyl]-5-(4-fluoro-3-methylphenyl)-N-(4-methoxyphenyl)piperidine-3-carboxamide
CID 46067702
1-N-(4-ethylphenyl)-4-N-(2-methoxy-5-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150784
4-N-(4-fluorophenyl)-1-N-[2-(4-methoxyphenyl)ethyl]cyclohexane-1,4-dicarboxamide
CID 109149176
5-(4-fluoro-3-methylphenyl)-N-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 42866558
N-(4-fluorophenyl)-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43930801
(3S)-1-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]-N-(4-methylphenyl)piperidine-3-carboxamide
CID 124805141
1-[(4-fluorophenyl)methyl]-N-(4-phenoxyphenyl)piperidine-4-carboxamide
CID 45014769
4-N-(4-ethylphenyl)-1-N-[(4-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148445
1-[(2-chlorophenyl)methyl]-N-(4-methoxyphenyl)piperidine-3-carboxamide
CID 43919687
N-[3-(difluoromethoxy)-4-methylphenyl]cyclopropanecarboxamide
CID 56790840
1-[(2-methoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 1096579

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethoxy)-2-ethylbenzene;4-ethyl-2-fluoro-1-methylbenzene;1-ethyl-4-methoxybenzene;N-(4-ethylphenyl)cyclopropanecarboxamide;2-(4-ethylphenyl)-1,3-dioxolane;1-[(2-ethylphenyl)methyl]pyrrolidine;1-fluoro-4-methylbenzene?
The IUPAC name of 1-(difluoromethoxy)-2-ethylbenzene;4-ethyl-2-fluoro-1-methylbenzene;1-ethyl-4-methoxybenzene;N-(4-ethylphenyl)cyclopropanecarboxamide;2-(4-ethylphenyl)-1,3-dioxolane;1-[(2-ethylphenyl)methyl]pyrrolidine;1-fluoro-4-methylbenzene (CID 159438184) is 1-(difluoromethoxy)-2-ethylbenzene;4-ethyl-2-fluoro-1-methylbenzene;1-ethyl-4-methoxybenzene;N-(4-ethylphenyl)cyclopropanecarboxamide;2-(4-ethylphenyl)-1,3-dioxolane;1-[(2-ethylphenyl)methyl]pyrrolidine;1-fluoro-4-methylbenzene.
What is the SMILES notation for 1-(difluoromethoxy)-2-ethylbenzene;4-ethyl-2-fluoro-1-methylbenzene;1-ethyl-4-methoxybenzene;N-(4-ethylphenyl)cyclopropanecarboxamide;2-(4-ethylphenyl)-1,3-dioxolane;1-[(2-ethylphenyl)methyl]pyrrolidine;1-fluoro-4-methylbenzene?
The canonical SMILES for 1-(difluoromethoxy)-2-ethylbenzene;4-ethyl-2-fluoro-1-methylbenzene;1-ethyl-4-methoxybenzene;N-(4-ethylphenyl)cyclopropanecarboxamide;2-(4-ethylphenyl)-1,3-dioxolane;1-[(2-ethylphenyl)methyl]pyrrolidine;1-fluoro-4-methylbenzene is CCc1ccc(C)c(F)c1.CCc1ccc(C2OCCO2)cc1.CCc1ccc(NC(=O)C2CC2)cc1.CCc1ccc(OC)cc1.CCc1ccccc1CN1CCCC1.CCc1ccccc1OC(F)F.Cc1ccc(F)cc1.
What is the InChIKey of 1-(difluoromethoxy)-2-ethylbenzene;4-ethyl-2-fluoro-1-methylbenzene;1-ethyl-4-methoxybenzene;N-(4-ethylphenyl)cyclopropanecarboxamide;2-(4-ethylphenyl)-1,3-dioxolane;1-[(2-ethylphenyl)methyl]pyrrolidine;1-fluoro-4-methylbenzene?
The InChIKey is LRVMOWQPQBOLPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N.C12H15NO.C11H14O2.C9H10F2O.C9H11F.C9H12O.C7H7F/c1-2-12-7-3-4-8-13(12)11-14-9-5-6-10-14;1-2-9-3-7-11(8-4-9)13-12(14)10-5-6-10;1-2-9-3-5-10(6-4-9)11-12-7-8-13-11;1-2-7-5-3-4-6-8(7)12-9(10)11;1-3-8-5-4-7(2)9(10)6-8;1-3-8-4-6-9(10-2)7-5-8;1-6-2-4-7(8)5-3-6/h3-4,7-8H,2,5-6,9-11H2,1H3;3-4,7-8,10H,2,5-6H2,1H3,(H,13,14);3-6,11H,2,7-8H2,1H3;3-6,9H,2H2,1H3;4-6H,3H2,1-2H3;4-7H,3H2,1-2H3;2-5H,1H3.
What are the key properties of 1-(difluoromethoxy)-2-ethylbenzene;4-ethyl-2-fluoro-1-methylbenzene;1-ethyl-4-methoxybenzene;N-(4-ethylphenyl)cyclopropanecarboxamide;2-(4-ethylphenyl)-1,3-dioxolane;1-[(2-ethylphenyl)methyl]pyrrolidine;1-fluoro-4-methylbenzene?
1-(difluoromethoxy)-2-ethylbenzene;4-ethyl-2-fluoro-1-methylbenzene;1-ethyl-4-methoxybenzene;N-(4-ethylphenyl)cyclopropanecarboxamide;2-(4-ethylphenyl)-1,3-dioxolane;1-[(2-ethylphenyl)methyl]pyrrolidine;1-fluoro-4-methylbenzene has a molecular weight of 1113.47 g/mol, XLogP of 17.68, 14 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethoxy)-2-ethylbenzene;4-ethyl-2-fluoro-1-methylbenzene;1-ethyl-4-methoxybenzene;N-(4-ethylphenyl)cyclopropanecarboxamide;2-(4-ethylphenyl)-1,3-dioxolane;1-[(2-ethylphenyl)methyl]pyrrolidine;1-fluoro-4-methylbenzene is sourced from PubChem (CID 159438184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).