2-fluoro-N,N-dihexylbenzamide

C19H30FNO — CID 532810

IUPAC2-fluoro-N,N-dihexylbenzamide
SMILESCCCCCCN(CCCCCC)C(=O)c1ccccc1F
InChIInChI=1S/C19H30FNO/c1-3-5-7-11-15-21(16-12-8-6-4-2)19(22)17-13-9-10-14-18(17)20/h9-10,13-14H,3-8,11-12,15-16H2,1-2H3
InChIKeyCXVPMARFGIKBFT-UHFFFAOYSA-N
MW307.45 g/mol
LogP5.43
Rot. Bonds11

About 2-fluoro-N,N-dihexylbenzamide

2-fluoro-N,N-dihexylbenzamide (PubChem CID 532810) has the molecular formula C19H30FNO and a molecular weight of 307.45 g/mol. Its IUPAC name is 2-fluoro-N,N-dihexylbenzamide.

Molecular Properties

Compound Name2-fluoro-N,N-dihexylbenzamide
PubChem CID532810
Molecular FormulaC19H30FNO
Molecular Weight307.45 g/mol
Exact Mass307.23
IUPAC Name2-fluoro-N,N-dihexylbenzamide
SMILESCCCCCCN(CCCCCC)C(=O)c1ccccc1F
InChIInChI=1S/C19H30FNO/c1-3-5-7-11-15-21(16-12-8-6-4-2)19(22)17-13-9-10-14-18(17)20/h9-10,13-14H,3-8,11-12,15-16H2,1-2H3
InChIKeyCXVPMARFGIKBFT-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 2-fluoro-N,N-dihexylbenzamide?
The IUPAC name of 2-fluoro-N,N-dihexylbenzamide (CID 532810) is 2-fluoro-N,N-dihexylbenzamide.
What is the SMILES notation for 2-fluoro-N,N-dihexylbenzamide?
The canonical SMILES for 2-fluoro-N,N-dihexylbenzamide is CCCCCCN(CCCCCC)C(=O)c1ccccc1F.
What is the InChIKey of 2-fluoro-N,N-dihexylbenzamide?
The InChIKey is CXVPMARFGIKBFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30FNO/c1-3-5-7-11-15-21(16-12-8-6-4-2)19(22)17-13-9-10-14-18(17)20/h9-10,13-14H,3-8,11-12,15-16H2,1-2H3.
What are the key properties of 2-fluoro-N,N-dihexylbenzamide?
2-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 2-fluoro-N,N-dihexylbenzamide is sourced from PubChem (CID 532810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).