3-amino-2,6-difluoro-N-(7-methyloctyl)benzamide

C16H24F2N2O — CID 107814586

IUPAC3-amino-2,6-difluoro-N-(7-methyloctyl)benzamide
SMILESCC(C)CCCCCCNC(=O)c1c(F)ccc(N)c1F
InChIInChI=1S/C16H24F2N2O/c1-11(2)7-5-3-4-6-10-20-16(21)14-12(17)8-9-13(19)15(14)18/h8-9,11H,3-7,10,19H2,1-2H3,(H,20,21)
InChIKeyMBUUXCXTBIMOBL-UHFFFAOYSA-N
MW298.38 g/mol
LogP3.88
Rot. Bonds8

About 3-amino-2,6-difluoro-N-(7-methyloctyl)benzamide

3-amino-2,6-difluoro-N-(7-methyloctyl)benzamide (PubChem CID 107814586) has the molecular formula C16H24F2N2O and a molecular weight of 298.38 g/mol. Its IUPAC name is 3-amino-2,6-difluoro-N-(7-methyloctyl)benzamide.

Molecular Properties

Compound Name3-amino-2,6-difluoro-N-(7-methyloctyl)benzamide
PubChem CID107814586
Molecular FormulaC16H24F2N2O
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name3-amino-2,6-difluoro-N-(7-methyloctyl)benzamide
SMILESCC(C)CCCCCCNC(=O)c1c(F)ccc(N)c1F
InChIInChI=1S/C16H24F2N2O/c1-11(2)7-5-3-4-6-10-20-16(21)14-12(17)8-9-13(19)15(14)18/h8-9,11H,3-7,10,19H2,1-2H3,(H,20,21)
InChIKeyMBUUXCXTBIMOBL-UHFFFAOYSA-N
XLogP3.88
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 53.88
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-2,6-difluoro-N-(3-hydroxypropyl)benzamide
CID 79773787
2-amino-4-fluoro-N-(7-methyloctyl)benzamide
CID 62075011
2-amino-6-methyl-N-(7-methyloctyl)benzamide
CID 107814563
3-amino-N-(3-amino-3-oxopropyl)-2,6-difluorobenzamide
CID 79772736
2-amino-6-chloro-N-(7-methyloctyl)benzamide
CID 107814571
3-amino-2,6-difluoro-N-[3-(2-hydroxyethoxy)propyl]benzamide
CID 106308320
5-bromo-2-fluoro-N-(7-methyloctyl)benzamide
CID 63525308
2-[(3-amino-2,6-difluorobenzoyl)amino]ethyl carbamate
CID 83202374
3-amino-2,6-difluoro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide
CID 79772907
2,3-difluoro-N-(7-methyloctyl)pyridine-4-carboxamide
CID 105380997
3-amino-N-[2-[ethyl(methyl)amino]ethyl]-2,6-difluorobenzamide
CID 79772967
4-amino-N-(6-methylheptyl)benzamide
CID 22753103

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,6-difluoro-N-(7-methyloctyl)benzamide?
The IUPAC name of 3-amino-2,6-difluoro-N-(7-methyloctyl)benzamide (CID 107814586) is 3-amino-2,6-difluoro-N-(7-methyloctyl)benzamide.
What is the SMILES notation for 3-amino-2,6-difluoro-N-(7-methyloctyl)benzamide?
The canonical SMILES for 3-amino-2,6-difluoro-N-(7-methyloctyl)benzamide is CC(C)CCCCCCNC(=O)c1c(F)ccc(N)c1F.
What is the InChIKey of 3-amino-2,6-difluoro-N-(7-methyloctyl)benzamide?
The InChIKey is MBUUXCXTBIMOBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2N2O/c1-11(2)7-5-3-4-6-10-20-16(21)14-12(17)8-9-13(19)15(14)18/h8-9,11H,3-7,10,19H2,1-2H3,(H,20,21).
What are the key properties of 3-amino-2,6-difluoro-N-(7-methyloctyl)benzamide?
3-amino-2,6-difluoro-N-(7-methyloctyl)benzamide has a molecular weight of 298.38 g/mol, XLogP of 3.88, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,6-difluoro-N-(7-methyloctyl)benzamide is sourced from PubChem (CID 107814586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).