3-fluoro-N,N-dihexylbenzamide

C19H30FNO — CID 533092

IUPAC3-fluoro-N,N-dihexylbenzamide
SMILESCCCCCCN(CCCCCC)C(=O)c1cccc(F)c1
InChIInChI=1S/C19H30FNO/c1-3-5-7-9-14-21(15-10-8-6-4-2)19(22)17-12-11-13-18(20)16-17/h11-13,16H,3-10,14-15H2,1-2H3
InChIKeyKJRTXJHGIKOVJJ-UHFFFAOYSA-N
MW307.45 g/mol
LogP5.43
Rot. Bonds11

About 3-fluoro-N,N-dihexylbenzamide

3-fluoro-N,N-dihexylbenzamide (PubChem CID 533092) has the molecular formula C19H30FNO and a molecular weight of 307.45 g/mol. Its IUPAC name is 3-fluoro-N,N-dihexylbenzamide.

Molecular Properties

Compound Name3-fluoro-N,N-dihexylbenzamide
PubChem CID533092
Molecular FormulaC19H30FNO
Molecular Weight307.45 g/mol
Exact Mass307.23
IUPAC Name3-fluoro-N,N-dihexylbenzamide
SMILESCCCCCCN(CCCCCC)C(=O)c1cccc(F)c1
InChIInChI=1S/C19H30FNO/c1-3-5-7-9-14-21(15-10-8-6-4-2)19(22)17-12-11-13-18(20)16-17/h11-13,16H,3-10,14-15H2,1-2H3
InChIKeyKJRTXJHGIKOVJJ-UHFFFAOYSA-N
XLogP5.43
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.45
LogP ≤ 55.43
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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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N,N-dihexylbenzamide?
The IUPAC name of 3-fluoro-N,N-dihexylbenzamide (CID 533092) is 3-fluoro-N,N-dihexylbenzamide.
What is the SMILES notation for 3-fluoro-N,N-dihexylbenzamide?
The canonical SMILES for 3-fluoro-N,N-dihexylbenzamide is CCCCCCN(CCCCCC)C(=O)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N,N-dihexylbenzamide?
The InChIKey is KJRTXJHGIKOVJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30FNO/c1-3-5-7-9-14-21(15-10-8-6-4-2)19(22)17-12-11-13-18(20)16-17/h11-13,16H,3-10,14-15H2,1-2H3.
What are the key properties of 3-fluoro-N,N-dihexylbenzamide?
3-fluoro-N,N-dihexylbenzamide has a molecular weight of 307.45 g/mol, XLogP of 5.43, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N,N-dihexylbenzamide is sourced from PubChem (CID 533092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).