N-(4-fluoro-2-methylphenyl)hexanamide

C13H18FNO — CID 17069266

IUPACN-(4-fluoro-2-methylphenyl)hexanamide
SMILESCCCCCC(=O)Nc1ccc(F)cc1C
InChIInChI=1S/C13H18FNO/c1-3-4-5-6-13(16)15-12-8-7-11(14)9-10(12)2/h7-9H,3-6H2,1-2H3,(H,15,16)
InChIKeyRTLGBHASTCHEMF-UHFFFAOYSA-N
MW223.29 g/mol
LogP3.65
Rot. Bonds5

About N-(4-fluoro-2-methylphenyl)hexanamide

N-(4-fluoro-2-methylphenyl)hexanamide (PubChem CID 17069266) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is N-(4-fluoro-2-methylphenyl)hexanamide.

Molecular Properties

Compound NameN-(4-fluoro-2-methylphenyl)hexanamide
PubChem CID17069266
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC NameN-(4-fluoro-2-methylphenyl)hexanamide
SMILESCCCCCC(=O)Nc1ccc(F)cc1C
InChIInChI=1S/C13H18FNO/c1-3-4-5-6-13(16)15-12-8-7-11(14)9-10(12)2/h7-9H,3-6H2,1-2H3,(H,15,16)
InChIKeyRTLGBHASTCHEMF-UHFFFAOYSA-N
XLogP3.65
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 53.65
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

N-(2,4-difluorophenyl)hexanamide
CID 3484261
5-(4-fluoro-2-methylanilino)-5-oxopentanoic acid
CID 17283084
7-amino-N-(4-fluoro-2-methylphenyl)heptanamide;hydrochloride
CID 119679598
N-[4-[4-(heptanoylamino)-3-methylphenyl]-2-methylphenyl]heptanamide
CID 4180295
N-(4-bromo-2-methylphenyl)octanamide
CID 4582485
N-(4-formyl-2-methylphenyl)dodecanamide
CID 54174472
N-(2-acetyl-5-fluorophenyl)hexanamide
CID 134838047
4-(henicosanoylamino)-3-methylbenzoic acid
CID 12800016
N-(4-fluoro-2-methylphenyl)-3-phenylpropanamide
CID 7751880
5-amino-N-(4-fluoro-2-methylphenyl)-4-methylpentanamide
CID 82016801
N-(5-fluoro-2-sulfamoylphenyl)hexanamide
CID 61131111
2,4-difluoro-N-[4-(4-fluoro-2-methylanilino)-4-oxobutyl]benzamide
CID 30492931

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-methylphenyl)hexanamide?
The IUPAC name of N-(4-fluoro-2-methylphenyl)hexanamide (CID 17069266) is N-(4-fluoro-2-methylphenyl)hexanamide.
What is the SMILES notation for N-(4-fluoro-2-methylphenyl)hexanamide?
The canonical SMILES for N-(4-fluoro-2-methylphenyl)hexanamide is CCCCCC(=O)Nc1ccc(F)cc1C.
What is the InChIKey of N-(4-fluoro-2-methylphenyl)hexanamide?
The InChIKey is RTLGBHASTCHEMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-3-4-5-6-13(16)15-12-8-7-11(14)9-10(12)2/h7-9H,3-6H2,1-2H3,(H,15,16).
What are the key properties of N-(4-fluoro-2-methylphenyl)hexanamide?
N-(4-fluoro-2-methylphenyl)hexanamide has a molecular weight of 223.29 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-methylphenyl)hexanamide is sourced from PubChem (CID 17069266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).