3-amino-5-fluoro-4-methyl-N-octylbenzamide

C16H25FN2O — CID 115565945

IUPAC3-amino-5-fluoro-4-methyl-N-octylbenzamide
SMILESCCCCCCCCNC(=O)c1cc(N)c(C)c(F)c1
InChIInChI=1S/C16H25FN2O/c1-3-4-5-6-7-8-9-19-16(20)13-10-14(17)12(2)15(18)11-13/h10-11H,3-9,18H2,1-2H3,(H,19,20)
InChIKeyMIUADVYQFJYUJP-UHFFFAOYSA-N
MW280.39 g/mol
LogP3.81
Rot. Bonds8

About 3-amino-5-fluoro-4-methyl-N-octylbenzamide

3-amino-5-fluoro-4-methyl-N-octylbenzamide (PubChem CID 115565945) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is 3-amino-5-fluoro-4-methyl-N-octylbenzamide.

Molecular Properties

Compound Name3-amino-5-fluoro-4-methyl-N-octylbenzamide
PubChem CID115565945
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC Name3-amino-5-fluoro-4-methyl-N-octylbenzamide
SMILESCCCCCCCCNC(=O)c1cc(N)c(C)c(F)c1
InChIInChI=1S/C16H25FN2O/c1-3-4-5-6-7-8-9-19-16(20)13-10-14(17)12(2)15(18)11-13/h10-11H,3-9,18H2,1-2H3,(H,19,20)
InChIKeyMIUADVYQFJYUJP-UHFFFAOYSA-N
XLogP3.81
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 53.81
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-amino-5-fluoro-N-hexyl-4-methylbenzamide
CID 61111175
3-amino-5-fluoro-4-methyl-N-propylbenzamide
CID 60861174
3-amino-4-fluoro-N-octylbenzamide
CID 115565836
3,5-difluoro-4-(methylamino)-N-pentylbenzamide
CID 63183966
3-amino-N-[2-(diethylamino)ethyl]-5-fluoro-4-methylbenzamide
CID 60860849
3,4-diamino-N-dodecylbenzamide
CID 22411166
3,5-diamino-N-hexadecylbenzamide
CID 54469516
3-amino-N-[3-(dimethylamino)-3-oxopropyl]-5-fluoro-4-methylbenzamide
CID 61103510
3,4-difluoro-N-heptylbenzamide
CID 91717416
3-amino-5-fluoro-4-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 60861030
4-amino-3-methyl-N-octylbenzamide
CID 115565914
5-amino-2,4-difluoro-N-hexylbenzamide
CID 61113245

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-fluoro-4-methyl-N-octylbenzamide?
The IUPAC name of 3-amino-5-fluoro-4-methyl-N-octylbenzamide (CID 115565945) is 3-amino-5-fluoro-4-methyl-N-octylbenzamide.
What is the SMILES notation for 3-amino-5-fluoro-4-methyl-N-octylbenzamide?
The canonical SMILES for 3-amino-5-fluoro-4-methyl-N-octylbenzamide is CCCCCCCCNC(=O)c1cc(N)c(C)c(F)c1.
What is the InChIKey of 3-amino-5-fluoro-4-methyl-N-octylbenzamide?
The InChIKey is MIUADVYQFJYUJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O/c1-3-4-5-6-7-8-9-19-16(20)13-10-14(17)12(2)15(18)11-13/h10-11H,3-9,18H2,1-2H3,(H,19,20).
What are the key properties of 3-amino-5-fluoro-4-methyl-N-octylbenzamide?
3-amino-5-fluoro-4-methyl-N-octylbenzamide has a molecular weight of 280.39 g/mol, XLogP of 3.81, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-fluoro-4-methyl-N-octylbenzamide is sourced from PubChem (CID 115565945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).