N-butyl-3-fluoro-N-hexylbenzamide

C17H26FNO — CID 91711784

IUPACN-butyl-3-fluoro-N-hexylbenzamide
SMILESCCCCCCN(CCCC)C(=O)c1cccc(F)c1
InChIInChI=1S/C17H26FNO/c1-3-5-7-8-13-19(12-6-4-2)17(20)15-10-9-11-16(18)14-15/h9-11,14H,3-8,12-13H2,1-2H3
InChIKeyNDYRAXQVILGXNL-UHFFFAOYSA-N
MW279.40 g/mol
LogP4.65
Rot. Bonds9

About N-butyl-3-fluoro-N-hexylbenzamide

N-butyl-3-fluoro-N-hexylbenzamide (PubChem CID 91711784) has the molecular formula C17H26FNO and a molecular weight of 279.40 g/mol. Its IUPAC name is N-butyl-3-fluoro-N-hexylbenzamide.

Molecular Properties

Compound NameN-butyl-3-fluoro-N-hexylbenzamide
PubChem CID91711784
Molecular FormulaC17H26FNO
Molecular Weight279.40 g/mol
Exact Mass279.20
IUPAC NameN-butyl-3-fluoro-N-hexylbenzamide
SMILESCCCCCCN(CCCC)C(=O)c1cccc(F)c1
InChIInChI=1S/C17H26FNO/c1-3-5-7-8-13-19(12-6-4-2)17(20)15-10-9-11-16(18)14-15/h9-11,14H,3-8,12-13H2,1-2H3
InChIKeyNDYRAXQVILGXNL-UHFFFAOYSA-N
XLogP4.65
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 54.65
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,N-diethyl-m-toluamide
CID 4284
N-Methylbenzamide
CID 11954
N,N-Diethyl-2-phenylacetamide
CID 17076
N,N-Diethylbenzamide
CID 15542
1-(4-Benzoyl-1-piperazinyl)-1-propanone
CID 4223812
Benzoylpiperidine
CID 69892
2-Methyl-N,N-diethylbenzamide
CID 75945
N-Propylbenzamide
CID 25354
1-(3,4-Difluorobenzoyl)-4-methylpiperazine
CID 550711
Amylase
CID 71475145
N-Ethylbenzamide
CID 11959
N,N'-dibenzoylpiperazine
CID 80185

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-fluoro-N-hexylbenzamide?
The IUPAC name of N-butyl-3-fluoro-N-hexylbenzamide (CID 91711784) is N-butyl-3-fluoro-N-hexylbenzamide.
What is the SMILES notation for N-butyl-3-fluoro-N-hexylbenzamide?
The canonical SMILES for N-butyl-3-fluoro-N-hexylbenzamide is CCCCCCN(CCCC)C(=O)c1cccc(F)c1.
What is the InChIKey of N-butyl-3-fluoro-N-hexylbenzamide?
The InChIKey is NDYRAXQVILGXNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO/c1-3-5-7-8-13-19(12-6-4-2)17(20)15-10-9-11-16(18)14-15/h9-11,14H,3-8,12-13H2,1-2H3.
What are the key properties of N-butyl-3-fluoro-N-hexylbenzamide?
N-butyl-3-fluoro-N-hexylbenzamide has a molecular weight of 279.40 g/mol, XLogP of 4.65, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-fluoro-N-hexylbenzamide is sourced from PubChem (CID 91711784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).