3-amino-4-fluoro-N-octylbenzamide

C15H23FN2O — CID 115565836

IUPAC3-amino-4-fluoro-N-octylbenzamide
SMILESCCCCCCCCNC(=O)c1ccc(F)c(N)c1
InChIInChI=1S/C15H23FN2O/c1-2-3-4-5-6-7-10-18-15(19)12-8-9-13(16)14(17)11-12/h8-9,11H,2-7,10,17H2,1H3,(H,18,19)
InChIKeyUSXYYFNVGRFAHW-UHFFFAOYSA-N
MW266.36 g/mol
LogP3.50
Rot. Bonds8

About 3-amino-4-fluoro-N-octylbenzamide

3-amino-4-fluoro-N-octylbenzamide (PubChem CID 115565836) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is 3-amino-4-fluoro-N-octylbenzamide.

Molecular Properties

Compound Name3-amino-4-fluoro-N-octylbenzamide
PubChem CID115565836
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name3-amino-4-fluoro-N-octylbenzamide
SMILESCCCCCCCCNC(=O)c1ccc(F)c(N)c1
InChIInChI=1S/C15H23FN2O/c1-2-3-4-5-6-7-10-18-15(19)12-8-9-13(16)14(17)11-12/h8-9,11H,2-7,10,17H2,1H3,(H,18,19)
InChIKeyUSXYYFNVGRFAHW-UHFFFAOYSA-N
XLogP3.50
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,4-diamino-N-dodecylbenzamide
CID 22411166
3,4-difluoro-N-heptylbenzamide
CID 91717416
4-amino-3-methyl-N-octylbenzamide
CID 115565914
3-amino-5-fluoro-4-methyl-N-octylbenzamide
CID 115565945
3-amino-5-fluoro-N-hexyl-4-methylbenzamide
CID 61111175
4-amino-N-dodecyl-3-hydroxybenzamide
CID 22411110
3-amino-4-ethoxy-N-hexylbenzamide
CID 61112297
5-amino-2,4-difluoro-N-hexylbenzamide
CID 61113245
3-amino-N-[3-[ethyl(methylsulfonyl)amino]propyl]-4-fluorobenzamide
CID 61139821
N-hexyl-3,4-dimethylbenzamide
CID 4523484
5-amino-2-fluoro-N-hexylbenzamide
CID 61113619
3-fluoro-N-octadecylbenzamide
CID 91711883

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-fluoro-N-octylbenzamide?
The IUPAC name of 3-amino-4-fluoro-N-octylbenzamide (CID 115565836) is 3-amino-4-fluoro-N-octylbenzamide.
What is the SMILES notation for 3-amino-4-fluoro-N-octylbenzamide?
The canonical SMILES for 3-amino-4-fluoro-N-octylbenzamide is CCCCCCCCNC(=O)c1ccc(F)c(N)c1.
What is the InChIKey of 3-amino-4-fluoro-N-octylbenzamide?
The InChIKey is USXYYFNVGRFAHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-2-3-4-5-6-7-10-18-15(19)12-8-9-13(16)14(17)11-12/h8-9,11H,2-7,10,17H2,1H3,(H,18,19).
What are the key properties of 3-amino-4-fluoro-N-octylbenzamide?
3-amino-4-fluoro-N-octylbenzamide has a molecular weight of 266.36 g/mol, XLogP of 3.50, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-fluoro-N-octylbenzamide is sourced from PubChem (CID 115565836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).