N-butyl-3-fluoro-N-pentylbenzamide

C16H24FNO — CID 91711783

IUPACN-butyl-3-fluoro-N-pentylbenzamide
SMILESCCCCCN(CCCC)C(=O)c1cccc(F)c1
InChIInChI=1S/C16H24FNO/c1-3-5-7-12-18(11-6-4-2)16(19)14-9-8-10-15(17)13-14/h8-10,13H,3-7,11-12H2,1-2H3
InChIKeyXWCRONZBYPXNGH-UHFFFAOYSA-N
MW265.37 g/mol
LogP4.26
Rot. Bonds8

About N-butyl-3-fluoro-N-pentylbenzamide

N-butyl-3-fluoro-N-pentylbenzamide (PubChem CID 91711783) has the molecular formula C16H24FNO and a molecular weight of 265.37 g/mol. Its IUPAC name is N-butyl-3-fluoro-N-pentylbenzamide.

Molecular Properties

Compound NameN-butyl-3-fluoro-N-pentylbenzamide
PubChem CID91711783
Molecular FormulaC16H24FNO
Molecular Weight265.37 g/mol
Exact Mass265.18
IUPAC NameN-butyl-3-fluoro-N-pentylbenzamide
SMILESCCCCCN(CCCC)C(=O)c1cccc(F)c1
InChIInChI=1S/C16H24FNO/c1-3-5-7-12-18(11-6-4-2)16(19)14-9-8-10-15(17)13-14/h8-10,13H,3-7,11-12H2,1-2H3
InChIKeyXWCRONZBYPXNGH-UHFFFAOYSA-N
XLogP4.26
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 54.26
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-pentylbenzamide?
The IUPAC name of N-butyl-3-fluoro-N-pentylbenzamide (CID 91711783) is N-butyl-3-fluoro-N-pentylbenzamide.
What is the SMILES notation for N-butyl-3-fluoro-N-pentylbenzamide?
The canonical SMILES for N-butyl-3-fluoro-N-pentylbenzamide is CCCCCN(CCCC)C(=O)c1cccc(F)c1.
What is the InChIKey of N-butyl-3-fluoro-N-pentylbenzamide?
The InChIKey is XWCRONZBYPXNGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO/c1-3-5-7-12-18(11-6-4-2)16(19)14-9-8-10-15(17)13-14/h8-10,13H,3-7,11-12H2,1-2H3.
What are the key properties of N-butyl-3-fluoro-N-pentylbenzamide?
N-butyl-3-fluoro-N-pentylbenzamide has a molecular weight of 265.37 g/mol, XLogP of 4.26, 8 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-pentylbenzamide is sourced from PubChem (CID 91711783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).