N-ethyl-2-fluoro-N-heptylbenzamide

C16H24FNO — CID 91711941

IUPACN-ethyl-2-fluoro-N-heptylbenzamide
SMILESCCCCCCCN(CC)C(=O)c1ccccc1F
InChIInChI=1S/C16H24FNO/c1-3-5-6-7-10-13-18(4-2)16(19)14-11-8-9-12-15(14)17/h8-9,11-12H,3-7,10,13H2,1-2H3
InChIKeyXDQFLRZQRGJQEL-UHFFFAOYSA-N
MW265.37 g/mol
LogP4.26
Rot. Bonds8

About N-ethyl-2-fluoro-N-heptylbenzamide

N-ethyl-2-fluoro-N-heptylbenzamide (PubChem CID 91711941) has the molecular formula C16H24FNO and a molecular weight of 265.37 g/mol. Its IUPAC name is N-ethyl-2-fluoro-N-heptylbenzamide.

Molecular Properties

Compound NameN-ethyl-2-fluoro-N-heptylbenzamide
PubChem CID91711941
Molecular FormulaC16H24FNO
Molecular Weight265.37 g/mol
Exact Mass265.18
IUPAC NameN-ethyl-2-fluoro-N-heptylbenzamide
SMILESCCCCCCCN(CC)C(=O)c1ccccc1F
InChIInChI=1S/C16H24FNO/c1-3-5-6-7-10-13-18(4-2)16(19)14-11-8-9-12-15(14)17/h8-9,11-12H,3-7,10,13H2,1-2H3
InChIKeyXDQFLRZQRGJQEL-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-ethyl-2-fluoro-N-heptylbenzamide?
The IUPAC name of N-ethyl-2-fluoro-N-heptylbenzamide (CID 91711941) is N-ethyl-2-fluoro-N-heptylbenzamide.
What is the SMILES notation for N-ethyl-2-fluoro-N-heptylbenzamide?
The canonical SMILES for N-ethyl-2-fluoro-N-heptylbenzamide is CCCCCCCN(CC)C(=O)c1ccccc1F.
What is the InChIKey of N-ethyl-2-fluoro-N-heptylbenzamide?
The InChIKey is XDQFLRZQRGJQEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO/c1-3-5-6-7-10-13-18(4-2)16(19)14-11-8-9-12-15(14)17/h8-9,11-12H,3-7,10,13H2,1-2H3.
What are the key properties of N-ethyl-2-fluoro-N-heptylbenzamide?
N-ethyl-2-fluoro-N-heptylbenzamide 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-ethyl-2-fluoro-N-heptylbenzamide is sourced from PubChem (CID 91711941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).