N-ethyl-N-(4-fluorophenyl)hexanamide

C14H20FNO — CID 78806862

IUPACN-ethyl-N-(4-fluorophenyl)hexanamide
SMILESCCCCCC(=O)N(CC)c1ccc(F)cc1
InChIInChI=1S/C14H20FNO/c1-3-5-6-7-14(17)16(4-2)13-10-8-12(15)9-11-13/h8-11H,3-7H2,1-2H3
InChIKeyNLAJKHSCIYMKKG-UHFFFAOYSA-N
MW237.32 g/mol
LogP3.76
Rot. Bonds6

About N-ethyl-N-(4-fluorophenyl)hexanamide

N-ethyl-N-(4-fluorophenyl)hexanamide (PubChem CID 78806862) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is N-ethyl-N-(4-fluorophenyl)hexanamide.

Molecular Properties

Compound NameN-ethyl-N-(4-fluorophenyl)hexanamide
PubChem CID78806862
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC NameN-ethyl-N-(4-fluorophenyl)hexanamide
SMILESCCCCCC(=O)N(CC)c1ccc(F)cc1
InChIInChI=1S/C14H20FNO/c1-3-5-6-7-14(17)16(4-2)13-10-8-12(15)9-11-13/h8-11H,3-7H2,1-2H3
InChIKeyNLAJKHSCIYMKKG-UHFFFAOYSA-N
XLogP3.76
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 53.76
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-ethyl-N-(4-fluorophenyl)-4-methoxybutanamide
CID 78883434
N-ethyl-N-phenyloctadecanamide
CID 151424183
N-[4-(aminomethyl)phenyl]-N-ethylhexanamide
CID 43275627
N-ethyl-N-(4-fluorophenyl)-4-hydroxypentanamide
CID 79192647
N-ethyl-N-(4-fluorophenyl)-3,3-dimethylbutanamide
CID 78806080
N-ethyl-N-(3-fluoro-4-piperazin-1-ylphenyl)hexanamide
CID 91610900
2-(2-chlorophenyl)-N-ethyl-N-(4-fluorophenyl)acetamide
CID 60592550
N-ethyl-N-(3-hydroxyphenyl)heptanamide
CID 107736474
4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-ethyl-N-(4-fluorophenyl)butanamide
CID 51198655
N-ethyl-4-[(4-fluorophenyl)sulfonyl-methylamino]-N-phenylbutanamide
CID 55363261
N-ethyl-N-(4-fluorophenyl)-2-(propan-2-ylamino)acetamide
CID 60683040
heptyl 6-(N-ethylanilino)-6-oxohexanoate
CID 91711017

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(4-fluorophenyl)hexanamide?
The IUPAC name of N-ethyl-N-(4-fluorophenyl)hexanamide (CID 78806862) is N-ethyl-N-(4-fluorophenyl)hexanamide.
What is the SMILES notation for N-ethyl-N-(4-fluorophenyl)hexanamide?
The canonical SMILES for N-ethyl-N-(4-fluorophenyl)hexanamide is CCCCCC(=O)N(CC)c1ccc(F)cc1.
What is the InChIKey of N-ethyl-N-(4-fluorophenyl)hexanamide?
The InChIKey is NLAJKHSCIYMKKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-3-5-6-7-14(17)16(4-2)13-10-8-12(15)9-11-13/h8-11H,3-7H2,1-2H3.
What are the key properties of N-ethyl-N-(4-fluorophenyl)hexanamide?
N-ethyl-N-(4-fluorophenyl)hexanamide has a molecular weight of 237.32 g/mol, XLogP of 3.76, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(4-fluorophenyl)hexanamide is sourced from PubChem (CID 78806862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).