N-(2-acetyl-5-fluorophenyl)hexanamide

C14H18FNO2 — CID 134838047

IUPACN-(2-acetyl-5-fluorophenyl)hexanamide
SMILESCCCCCC(=O)Nc1cc(F)ccc1C(C)=O
InChIInChI=1S/C14H18FNO2/c1-3-4-5-6-14(18)16-13-9-11(15)7-8-12(13)10(2)17/h7-9H,3-6H2,1-2H3,(H,16,18)
InChIKeySAFSFHAJIZJEPU-UHFFFAOYSA-N
MW251.30 g/mol
LogP3.55
Rot. Bonds6

About N-(2-acetyl-5-fluorophenyl)hexanamide

N-(2-acetyl-5-fluorophenyl)hexanamide (PubChem CID 134838047) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is N-(2-acetyl-5-fluorophenyl)hexanamide.

Molecular Properties

Compound NameN-(2-acetyl-5-fluorophenyl)hexanamide
PubChem CID134838047
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC NameN-(2-acetyl-5-fluorophenyl)hexanamide
SMILESCCCCCC(=O)Nc1cc(F)ccc1C(C)=O
InChIInChI=1S/C14H18FNO2/c1-3-4-5-6-14(18)16-13-9-11(15)7-8-12(13)10(2)17/h7-9H,3-6H2,1-2H3,(H,16,18)
InChIKeySAFSFHAJIZJEPU-UHFFFAOYSA-N
XLogP3.55
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2,4-difluorophenyl)hexanamide
CID 3484261
N-(4-fluoro-2-methylphenyl)hexanamide
CID 17069266
N-(5-fluoro-2-sulfamoylphenyl)hexanamide
CID 61131111
2-(4-ethoxybutanoylamino)-4-fluorobenzoic acid
CID 78980396
5-bromo-N-(2,5-difluorophenyl)pentanamide
CID 103601723
5-chloro-N-(2,5-difluorophenyl)pentanamide
CID 28971528
N-(2-fluorophenyl)hexanamide
CID 3481165
1-(2,4-difluorophenyl)octane-1,3-dione
CID 43321124
dimethyl 2-(hexanoylamino)benzene-1,4-dicarboxylate
CID 4686078
N-(4-chloro-2-fluorophenyl)dodecanamide
CID 4598315
N-(4-chloro-2-fluorophenyl)heptanamide
CID 4055752
dimethyl 2-(decanoylamino)benzene-1,4-dicarboxylate
CID 4183842

Frequently Asked Questions

What is the IUPAC name of N-(2-acetyl-5-fluorophenyl)hexanamide?
The IUPAC name of N-(2-acetyl-5-fluorophenyl)hexanamide (CID 134838047) is N-(2-acetyl-5-fluorophenyl)hexanamide.
What is the SMILES notation for N-(2-acetyl-5-fluorophenyl)hexanamide?
The canonical SMILES for N-(2-acetyl-5-fluorophenyl)hexanamide is CCCCCC(=O)Nc1cc(F)ccc1C(C)=O.
What is the InChIKey of N-(2-acetyl-5-fluorophenyl)hexanamide?
The InChIKey is SAFSFHAJIZJEPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-3-4-5-6-14(18)16-13-9-11(15)7-8-12(13)10(2)17/h7-9H,3-6H2,1-2H3,(H,16,18).
What are the key properties of N-(2-acetyl-5-fluorophenyl)hexanamide?
N-(2-acetyl-5-fluorophenyl)hexanamide has a molecular weight of 251.30 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetyl-5-fluorophenyl)hexanamide is sourced from PubChem (CID 134838047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).