2-ethyl-N-(4-fluorophenyl)heptanamide

C15H22FNO — CID 130290912

IUPAC2-ethyl-N-(4-fluorophenyl)heptanamide
SMILESCCCCCC(CC)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C15H22FNO/c1-3-5-6-7-12(4-2)15(18)17-14-10-8-13(16)9-11-14/h8-12H,3-7H2,1-2H3,(H,17,18)
InChIKeyFNYXGHPSYNWVEZ-UHFFFAOYSA-N
MW251.34 g/mol
LogP4.37
Rot. Bonds7

About 2-ethyl-N-(4-fluorophenyl)heptanamide

2-ethyl-N-(4-fluorophenyl)heptanamide (PubChem CID 130290912) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is 2-ethyl-N-(4-fluorophenyl)heptanamide.

Molecular Properties

Compound Name2-ethyl-N-(4-fluorophenyl)heptanamide
PubChem CID130290912
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC Name2-ethyl-N-(4-fluorophenyl)heptanamide
SMILESCCCCCC(CC)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C15H22FNO/c1-3-5-6-7-12(4-2)15(18)17-14-10-8-13(16)9-11-14/h8-12H,3-7H2,1-2H3,(H,17,18)
InChIKeyFNYXGHPSYNWVEZ-UHFFFAOYSA-N
XLogP4.37
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-fluorophenyl)carbamoyl]hexanoic acid
CID 143025847
(2S)-N-(4-fluorophenyl)-2-methylbutanamide
CID 838022
2-ethyl-N-[4-[1-(ethylamino)ethyl]phenyl]hexanamide
CID 43507662
(2R)-2-ethyl-N-[3-[6-(4-fluorophenyl)-2-pyridinyl]phenyl]hexanamide
CID 92767812
(2S)-N-[4-(acetylsulfamoyl)phenyl]-2-ethylhexanamide
CID 7801539
N-(1,3-dioxoisoindol-5-yl)-2-ethylhexanamide
CID 19736343
N-(3-amino-4-methylphenyl)-2-ethylhexanamide
CID 43125441
N-(3-bromo-4-methylphenyl)-2-ethylhexanamide
CID 55223159
2-ethyl-N-methyltetradecanamide
CID 161072731
N-[4-(2-ethylhexanoyl)phenyl]acetamide
CID 43337939
(2S)-2-ethyl-N-(4-phenylmethoxyphenyl)hexanamide
CID 40547684
4-fluoro-N-octan-3-ylaniline
CID 150524995

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(4-fluorophenyl)heptanamide?
The IUPAC name of 2-ethyl-N-(4-fluorophenyl)heptanamide (CID 130290912) is 2-ethyl-N-(4-fluorophenyl)heptanamide.
What is the SMILES notation for 2-ethyl-N-(4-fluorophenyl)heptanamide?
The canonical SMILES for 2-ethyl-N-(4-fluorophenyl)heptanamide is CCCCCC(CC)C(=O)Nc1ccc(F)cc1.
What is the InChIKey of 2-ethyl-N-(4-fluorophenyl)heptanamide?
The InChIKey is FNYXGHPSYNWVEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-3-5-6-7-12(4-2)15(18)17-14-10-8-13(16)9-11-14/h8-12H,3-7H2,1-2H3,(H,17,18).
What are the key properties of 2-ethyl-N-(4-fluorophenyl)heptanamide?
2-ethyl-N-(4-fluorophenyl)heptanamide has a molecular weight of 251.34 g/mol, XLogP of 4.37, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(4-fluorophenyl)heptanamide is sourced from PubChem (CID 130290912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).