N-[1-(3,4-difluorophenyl)ethyl]-N-methylhexanamide

C15H21F2NO — CID 86918334

IUPACN-[1-(3,4-difluorophenyl)ethyl]-N-methylhexanamide
SMILESCCCCCC(=O)N(C)C(C)c1ccc(F)c(F)c1
InChIInChI=1S/C15H21F2NO/c1-4-5-6-7-15(19)18(3)11(2)12-8-9-13(16)14(17)10-12/h8-11H,4-7H2,1-3H3
InChIKeyNXDBQKUGSRDMES-UHFFFAOYSA-N
MW269.33 g/mol
LogP4.06
Rot. Bonds6

About N-[1-(3,4-difluorophenyl)ethyl]-N-methylhexanamide

N-[1-(3,4-difluorophenyl)ethyl]-N-methylhexanamide (PubChem CID 86918334) has the molecular formula C15H21F2NO and a molecular weight of 269.33 g/mol. Its IUPAC name is N-[1-(3,4-difluorophenyl)ethyl]-N-methylhexanamide.

Molecular Properties

Compound NameN-[1-(3,4-difluorophenyl)ethyl]-N-methylhexanamide
PubChem CID86918334
Molecular FormulaC15H21F2NO
Molecular Weight269.33 g/mol
Exact Mass269.16
IUPAC NameN-[1-(3,4-difluorophenyl)ethyl]-N-methylhexanamide
SMILESCCCCCC(=O)N(C)C(C)c1ccc(F)c(F)c1
InChIInChI=1S/C15H21F2NO/c1-4-5-6-7-15(19)18(3)11(2)12-8-9-13(16)14(17)10-12/h8-11H,4-7H2,1-3H3
InChIKeyNXDBQKUGSRDMES-UHFFFAOYSA-N
XLogP4.06
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(4-hydroxyphenyl)ethyl]-N-methylhexanamide
CID 54912821
N-[1-(2,5-difluorophenyl)ethyl]-N-methylhexanamide
CID 86925812
4-chloro-N-[4-[[(1R)-1-(3,4-difluorophenyl)ethyl]-methylamino]-4-oxobutyl]benzamide
CID 31350252
4-chloro-N-[4-[[(1S)-1-(3,4-difluorophenyl)ethyl]-methylamino]-4-oxobutyl]benzamide
CID 31350253
N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-2-(2-methylpropylsulfonyl)acetamide
CID 86993538
N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]hexanamide
CID 75870203
N-[1-(4-hydroxyphenyl)ethyl]-N-methylpentanamide
CID 61042848
3-(2-bromophenyl)-N-[1-(3,4-difluorophenyl)ethyl]-N-methylpropanamide
CID 55832375
3-(2-aminophenyl)-N-[1-(3,4-difluorophenyl)ethyl]-N-methylpropanamide;hydrochloride
CID 120608510
2-[cyclopropyl(ethyl)amino]-N-[1-(3,4-difluorophenyl)ethyl]-N-methylacetamide
CID 78897751
6-[1-(4-fluorophenyl)ethyl-methylamino]-6-oxohexanoic acid
CID 60952600
N-[1-(3,4-difluorophenyl)ethyl]-2,2,2-trifluoro-N-methylacetamide
CID 62732806

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-difluorophenyl)ethyl]-N-methylhexanamide?
The IUPAC name of N-[1-(3,4-difluorophenyl)ethyl]-N-methylhexanamide (CID 86918334) is N-[1-(3,4-difluorophenyl)ethyl]-N-methylhexanamide.
What is the SMILES notation for N-[1-(3,4-difluorophenyl)ethyl]-N-methylhexanamide?
The canonical SMILES for N-[1-(3,4-difluorophenyl)ethyl]-N-methylhexanamide is CCCCCC(=O)N(C)C(C)c1ccc(F)c(F)c1.
What is the InChIKey of N-[1-(3,4-difluorophenyl)ethyl]-N-methylhexanamide?
The InChIKey is NXDBQKUGSRDMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO/c1-4-5-6-7-15(19)18(3)11(2)12-8-9-13(16)14(17)10-12/h8-11H,4-7H2,1-3H3.
What are the key properties of N-[1-(3,4-difluorophenyl)ethyl]-N-methylhexanamide?
N-[1-(3,4-difluorophenyl)ethyl]-N-methylhexanamide has a molecular weight of 269.33 g/mol, XLogP of 4.06, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-difluorophenyl)ethyl]-N-methylhexanamide is sourced from PubChem (CID 86918334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).