2-fluoro-N-(4-methylpentyl)benzamide

C13H18FNO — CID 60738338

IUPAC2-fluoro-N-(4-methylpentyl)benzamide
SMILESCC(C)CCCNC(=O)c1ccccc1F
InChIInChI=1S/C13H18FNO/c1-10(2)6-5-9-15-13(16)11-7-3-4-8-12(11)14/h3-4,7-8,10H,5-6,9H2,1-2H3,(H,15,16)
InChIKeyWLXGRPSEPUZUNM-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.99
Rot. Bonds5

About 2-fluoro-N-(4-methylpentyl)benzamide

2-fluoro-N-(4-methylpentyl)benzamide (PubChem CID 60738338) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is 2-fluoro-N-(4-methylpentyl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-(4-methylpentyl)benzamide
PubChem CID60738338
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name2-fluoro-N-(4-methylpentyl)benzamide
SMILESCC(C)CCCNC(=O)c1ccccc1F
InChIInChI=1S/C13H18FNO/c1-10(2)6-5-9-15-13(16)11-7-3-4-8-12(11)14/h3-4,7-8,10H,5-6,9H2,1-2H3,(H,15,16)
InChIKeyWLXGRPSEPUZUNM-UHFFFAOYSA-N
XLogP2.99
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 ≤ 52.99
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-(methylamino)-N-(4-methylpentyl)benzamide
CID 61377674
2-fluoro-4-methyl-N-(5-methylhexyl)benzamide
CID 79790982
bis[3-[(2-fluorobenzoyl)amino]propyl]-methylazanium
CID 2203617
2-fluoro-N-(2-hydroxypropyl)benzamide
CID 43391205
methyl 4-[(2-fluorobenzoyl)amino]butanoate
CID 60645325
N-[2-(2-aminopropanoylamino)ethyl]-2-fluorobenzamide;hydrochloride
CID 119299574
4-fluoro-2-hydroxy-N-(4-methylpentyl)benzamide
CID 103829717
5-bromo-2-fluoro-N-(7-methyloctyl)benzamide
CID 63525308
2-fluoro-N-[2-(2-methylpropylamino)-2-oxoethyl]benzamide
CID 40623473
2-fluoro-N-(5-methylsulfanylpentyl)benzamide
CID 104920148
2-fluoro-N-(4-phenylbutyl)benzamide
CID 2057513
2-fluoro-N-(5,5,5-trifluoropentyl)benzamide
CID 113322083

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(4-methylpentyl)benzamide?
The IUPAC name of 2-fluoro-N-(4-methylpentyl)benzamide (CID 60738338) is 2-fluoro-N-(4-methylpentyl)benzamide.
What is the SMILES notation for 2-fluoro-N-(4-methylpentyl)benzamide?
The canonical SMILES for 2-fluoro-N-(4-methylpentyl)benzamide is CC(C)CCCNC(=O)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-(4-methylpentyl)benzamide?
The InChIKey is WLXGRPSEPUZUNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-10(2)6-5-9-15-13(16)11-7-3-4-8-12(11)14/h3-4,7-8,10H,5-6,9H2,1-2H3,(H,15,16).
What are the key properties of 2-fluoro-N-(4-methylpentyl)benzamide?
2-fluoro-N-(4-methylpentyl)benzamide has a molecular weight of 223.29 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(4-methylpentyl)benzamide is sourced from PubChem (CID 60738338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).