ethane;6-(2-fluorophenoxy)-N-(2-methyl-4-pyridinyl)hexanamide;molecular hydrogen;hydrofluoride

C20H30F2N2O2 — CID 144811189

IUPACethane;6-(2-fluorophenoxy)-N-(2-methyl-4-pyridinyl)hexanamide;molecular hydrogen;hydrofluoride
SMILESCC.Cc1cc(NC(=O)CCCCCOc2ccccc2F)ccn1.F.[H][H]
InChIInChI=1S/C18H21FN2O2.C2H6.FH.H2/c1-14-13-15(10-11-20-14)21-18(22)9-3-2-6-12-23-17-8-5-4-7-16(17)19;1-2;;/h4-5,7-8,10-11,13H,2-3,6,9,12H2,1H3,(H,20,21,22);1-2H3;2*1H
InChIKeyXJDWKEFMDPTNOB-UHFFFAOYSA-N
MW368.47 g/mol
LogP5.53
Rot. Bonds8

About ethane;6-(2-fluorophenoxy)-N-(2-methyl-4-pyridinyl)hexanamide;molecular hydrogen;hydrofluoride

ethane;6-(2-fluorophenoxy)-N-(2-methyl-4-pyridinyl)hexanamide;molecular hydrogen;hydrofluoride (PubChem CID 144811189) has the molecular formula C20H30F2N2O2 and a molecular weight of 368.47 g/mol. Its IUPAC name is ethane;6-(2-fluorophenoxy)-N-(2-methyl-4-pyridinyl)hexanamide;molecular hydrogen;hydrofluoride.

Molecular Properties

Compound Nameethane;6-(2-fluorophenoxy)-N-(2-methyl-4-pyridinyl)hexanamide;molecular hydrogen;hydrofluoride
PubChem CID144811189
Molecular FormulaC20H30F2N2O2
Molecular Weight368.47 g/mol
Exact Mass368.23
IUPAC Nameethane;6-(2-fluorophenoxy)-N-(2-methyl-4-pyridinyl)hexanamide;molecular hydrogen;hydrofluoride
SMILESCC.Cc1cc(NC(=O)CCCCCOc2ccccc2F)ccn1.F.[H][H]
InChIInChI=1S/C18H21FN2O2.C2H6.FH.H2/c1-14-13-15(10-11-20-14)21-18(22)9-3-2-6-12-23-17-8-5-4-7-16(17)19;1-2;;/h4-5,7-8,10-11,13H,2-3,6,9,12H2,1H3,(H,20,21,22);1-2H3;2*1H
InChIKeyXJDWKEFMDPTNOB-UHFFFAOYSA-N
XLogP5.53
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.47
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-methyl-4-pyridinyl)-4-phenoxybutanamide
CID 110757265
7-(2-fluorophenoxy)-N-hydroxyheptanamide
CID 39357269
4-hydroxy-N-(2-methyl-4-pyridinyl)butanamide
CID 79240902
2-(2-aminophenoxy)-N-(2-methyl-4-pyridinyl)acetamide
CID 79234996
N-(2-methyl-4-pyridinyl)hept-6-ynamide
CID 123868405
N-(2-methyl-4-pyridinyl)butanamide
CID 78910950
4-(2-fluorophenoxy)-N-(5-methyl-2-pyridinyl)butanamide
CID 52714969
2-(2-methoxyphenyl)-N-(2-methyl-4-pyridinyl)acetamide
CID 110756856
3-(2-fluorophenoxy)-N-(4-fluorophenyl)propanamide
CID 47097682
4-[4-(2-fluorophenoxy)butanoylamino]-N-methylbenzamide
CID 60549875
2-chloro-4-[4-(2-fluorophenoxy)butanoylamino]benzamide
CID 47068143
3-(2-aminophenyl)-N-(2-methyl-4-pyridinyl)propanamide
CID 79240805

Frequently Asked Questions

What is the IUPAC name of ethane;6-(2-fluorophenoxy)-N-(2-methyl-4-pyridinyl)hexanamide;molecular hydrogen;hydrofluoride?
The IUPAC name of ethane;6-(2-fluorophenoxy)-N-(2-methyl-4-pyridinyl)hexanamide;molecular hydrogen;hydrofluoride (CID 144811189) is ethane;6-(2-fluorophenoxy)-N-(2-methyl-4-pyridinyl)hexanamide;molecular hydrogen;hydrofluoride.
What is the SMILES notation for ethane;6-(2-fluorophenoxy)-N-(2-methyl-4-pyridinyl)hexanamide;molecular hydrogen;hydrofluoride?
The canonical SMILES for ethane;6-(2-fluorophenoxy)-N-(2-methyl-4-pyridinyl)hexanamide;molecular hydrogen;hydrofluoride is CC.Cc1cc(NC(=O)CCCCCOc2ccccc2F)ccn1.F.[H][H].
What is the InChIKey of ethane;6-(2-fluorophenoxy)-N-(2-methyl-4-pyridinyl)hexanamide;molecular hydrogen;hydrofluoride?
The InChIKey is XJDWKEFMDPTNOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O2.C2H6.FH.H2/c1-14-13-15(10-11-20-14)21-18(22)9-3-2-6-12-23-17-8-5-4-7-16(17)19;1-2;;/h4-5,7-8,10-11,13H,2-3,6,9,12H2,1H3,(H,20,21,22);1-2H3;2*1H.
What are the key properties of ethane;6-(2-fluorophenoxy)-N-(2-methyl-4-pyridinyl)hexanamide;molecular hydrogen;hydrofluoride?
ethane;6-(2-fluorophenoxy)-N-(2-methyl-4-pyridinyl)hexanamide;molecular hydrogen;hydrofluoride has a molecular weight of 368.47 g/mol, XLogP of 5.53, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-(2-fluorophenoxy)-N-(2-methyl-4-pyridinyl)hexanamide;molecular hydrogen;hydrofluoride is sourced from PubChem (CID 144811189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).