3-fluoro-N-octadecylbenzamide

C25H42FNO — CID 91711883

IUPAC3-fluoro-N-octadecylbenzamide
SMILESCCCCCCCCCCCCCCCCCCNC(=O)c1cccc(F)c1
InChIInChI=1S/C25H42FNO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-27-25(28)23-19-18-20-24(26)22-23/h18-20,22H,2-17,21H2,1H3,(H,27,28)
InChIKeySPLAWGYVOVNPTR-UHFFFAOYSA-N
MW391.62 g/mol
LogP7.82
Rot. Bonds18

About 3-fluoro-N-octadecylbenzamide

3-fluoro-N-octadecylbenzamide (PubChem CID 91711883) has the molecular formula C25H42FNO and a molecular weight of 391.62 g/mol. Its IUPAC name is 3-fluoro-N-octadecylbenzamide.

Molecular Properties

Compound Name3-fluoro-N-octadecylbenzamide
PubChem CID91711883
Molecular FormulaC25H42FNO
Molecular Weight391.62 g/mol
Exact Mass391.33
IUPAC Name3-fluoro-N-octadecylbenzamide
SMILESCCCCCCCCCCCCCCCCCCNC(=O)c1cccc(F)c1
InChIInChI=1S/C25H42FNO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-27-25(28)23-19-18-20-24(26)22-23/h18-20,22H,2-17,21H2,1H3,(H,27,28)
InChIKeySPLAWGYVOVNPTR-UHFFFAOYSA-N
XLogP7.82
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.62
LogP ≤ 57.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(butylamino)-2-oxoethyl]-3-fluorobenzamide
CID 78784679
3-hydroxy-N-octylbenzamide
CID 115568584
3-fluoro-N-[3-(methylamino)propyl]benzamide
CID 43600651
3-bromo-N-dodecylbenzamide
CID 603918
N-decyl-3-sulfanylbenzamide
CID 107032454
3-amino-N-hexadecylbenzamide;hydrochloride
CID 45049404
3,4-difluoro-N-heptylbenzamide
CID 91717416
3-methoxy-N-tridecylbenzamide
CID 139819898
3-carbamothioyl-N-octylbenzamide
CID 115568179
N'-butyl-3-fluorobenzohydrazide
CID 118418454
2,5-difluoro-N-undecylbenzamide
CID 91717430
ethyl 3-(tetradecylcarbamoyl)benzoate
CID 163748479

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-octadecylbenzamide?
The IUPAC name of 3-fluoro-N-octadecylbenzamide (CID 91711883) is 3-fluoro-N-octadecylbenzamide.
What is the SMILES notation for 3-fluoro-N-octadecylbenzamide?
The canonical SMILES for 3-fluoro-N-octadecylbenzamide is CCCCCCCCCCCCCCCCCCNC(=O)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-octadecylbenzamide?
The InChIKey is SPLAWGYVOVNPTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H42FNO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-27-25(28)23-19-18-20-24(26)22-23/h18-20,22H,2-17,21H2,1H3,(H,27,28).
What are the key properties of 3-fluoro-N-octadecylbenzamide?
3-fluoro-N-octadecylbenzamide has a molecular weight of 391.62 g/mol, XLogP of 7.82, 18 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-octadecylbenzamide is sourced from PubChem (CID 91711883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).