3-fluoro-N,N-di(nonyl)benzamide

C25H42FNO — CID 533098

IUPAC3-fluoro-N,N-di(nonyl)benzamide
SMILESCCCCCCCCCN(CCCCCCCCC)C(=O)c1cccc(F)c1
InChIInChI=1S/C25H42FNO/c1-3-5-7-9-11-13-15-20-27(21-16-14-12-10-8-6-4-2)25(28)23-18-17-19-24(26)22-23/h17-19,22H,3-16,20-21H2,1-2H3
InChIKeyMZPNUTXATDABCO-UHFFFAOYSA-N
MW391.62 g/mol
LogP7.77
Rot. Bonds17

About 3-fluoro-N,N-di(nonyl)benzamide

3-fluoro-N,N-di(nonyl)benzamide (PubChem CID 533098) has the molecular formula C25H42FNO and a molecular weight of 391.62 g/mol. Its IUPAC name is 3-fluoro-N,N-di(nonyl)benzamide.

Molecular Properties

Compound Name3-fluoro-N,N-di(nonyl)benzamide
PubChem CID533098
Molecular FormulaC25H42FNO
Molecular Weight391.62 g/mol
Exact Mass391.33
IUPAC Name3-fluoro-N,N-di(nonyl)benzamide
SMILESCCCCCCCCCN(CCCCCCCCC)C(=O)c1cccc(F)c1
InChIInChI=1S/C25H42FNO/c1-3-5-7-9-11-13-15-20-27(21-16-14-12-10-8-6-4-2)25(28)23-18-17-19-24(26)22-23/h17-19,22H,3-16,20-21H2,1-2H3
InChIKeyMZPNUTXATDABCO-UHFFFAOYSA-N
XLogP7.77
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.62
LogP ≤ 57.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-fluoro-N,N-di(nonyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-amino-3-sulfanylidenepropyl)-3-fluoro-N-pentylbenzamide
CID 82103769
3-methyl-N,N-di(undecyl)benzamide
CID 533252
3-N,3-N-didodecylbenzene-1,3-dicarboxamide
CID 70541618
3-amino-N,N-didecylbenzamide
CID 19389018
N-(2-chloroethyl)-3-fluoro-N-propylbenzamide
CID 63392950
N-(3-aminopropyl)-N-ethyl-3-fluorobenzamide
CID 43136499
1-(3-fluorophenyl)-2-[methyl(pentyl)amino]ethanone
CID 43796075
N-decyl-N-ethyl-3-(trifluoromethyl)benzamide
CID 91726464
3-fluoro-N-octadecylbenzamide
CID 91711883
N-benzyl-3-fluoro-N-propylbenzamide
CID 134028425
N-hexyl-N-(2-hydroxyethyl)benzamide
CID 61215400
4-bromo-3-fluoro-N,N-dipentylbenzamide
CID 63524944

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N,N-di(nonyl)benzamide?
The IUPAC name of 3-fluoro-N,N-di(nonyl)benzamide (CID 533098) is 3-fluoro-N,N-di(nonyl)benzamide.
What is the SMILES notation for 3-fluoro-N,N-di(nonyl)benzamide?
The canonical SMILES for 3-fluoro-N,N-di(nonyl)benzamide is CCCCCCCCCN(CCCCCCCCC)C(=O)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N,N-di(nonyl)benzamide?
The InChIKey is MZPNUTXATDABCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H42FNO/c1-3-5-7-9-11-13-15-20-27(21-16-14-12-10-8-6-4-2)25(28)23-18-17-19-24(26)22-23/h17-19,22H,3-16,20-21H2,1-2H3.
What are the key properties of 3-fluoro-N,N-di(nonyl)benzamide?
3-fluoro-N,N-di(nonyl)benzamide has a molecular weight of 391.62 g/mol, XLogP of 7.77, 17 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N,N-di(nonyl)benzamide is sourced from PubChem (CID 533098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).