5-amino-N-(2,2-dimethylheptyl)-2-fluoro-3-methylbenzamide

C17H27FN2O — CID 103296661

IUPAC5-amino-N-(2,2-dimethylheptyl)-2-fluoro-3-methylbenzamide
SMILESCCCCCC(C)(C)CNC(=O)c1cc(N)cc(C)c1F
InChIInChI=1S/C17H27FN2O/c1-5-6-7-8-17(3,4)11-20-16(21)14-10-13(19)9-12(2)15(14)18/h9-10H,5-8,11,19H2,1-4H3,(H,20,21)
InChIKeyHZNVOSJETSOJBY-UHFFFAOYSA-N
MW294.41 g/mol
LogP4.05
Rot. Bonds7

About 5-amino-N-(2,2-dimethylheptyl)-2-fluoro-3-methylbenzamide

5-amino-N-(2,2-dimethylheptyl)-2-fluoro-3-methylbenzamide (PubChem CID 103296661) has the molecular formula C17H27FN2O and a molecular weight of 294.41 g/mol. Its IUPAC name is 5-amino-N-(2,2-dimethylheptyl)-2-fluoro-3-methylbenzamide.

Molecular Properties

Compound Name5-amino-N-(2,2-dimethylheptyl)-2-fluoro-3-methylbenzamide
PubChem CID103296661
Molecular FormulaC17H27FN2O
Molecular Weight294.41 g/mol
Exact Mass294.21
IUPAC Name5-amino-N-(2,2-dimethylheptyl)-2-fluoro-3-methylbenzamide
SMILESCCCCCC(C)(C)CNC(=O)c1cc(N)cc(C)c1F
InChIInChI=1S/C17H27FN2O/c1-5-6-7-8-17(3,4)11-20-16(21)14-10-13(19)9-12(2)15(14)18/h9-10H,5-8,11,19H2,1-4H3,(H,20,21)
InChIKeyHZNVOSJETSOJBY-UHFFFAOYSA-N
XLogP4.05
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.41
LogP ≤ 54.05
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

5-amino-2-fluoro-3-methyl-N-pentylbenzamide
CID 103295782
5-amino-2-fluoro-3-methyl-N-(2,3,3-trimethylbutyl)benzamide
CID 103296755
ethyl 3-[(5-amino-2-fluoro-3-methylbenzoyl)amino]propanoate
CID 103296353
tert-butyl N-[3-[(5-amino-2-fluoro-3-methylbenzoyl)amino]propyl]carbamate
CID 103296906
5-amino-N-(5-hydroxy-2,2-dimethylpentyl)-2-methylbenzamide
CID 106139408
N-(2,2-dimethylheptyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103747347
3-(2,2-dimethylbutylcarbamoyl)-4-fluoro-5-methylbenzenesulfonyl chloride
CID 103465557
N-(2,2-dimethylheptyl)-3-fluoropyridine-4-carboxamide
CID 115686817
5-amino-N-(2,3-dimethylbutyl)-2-fluoro-3-methylbenzamide
CID 103296542
N-(4-chloro-2,2-dimethylbutyl)-2-fluoro-3-methylbenzamide
CID 114149338
N-(5-amino-2,2-dimethylpentyl)-4-fluoro-2-methylbenzamide
CID 106140917
5-amino-2-fluoro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-methylbenzamide
CID 106179973

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2,2-dimethylheptyl)-2-fluoro-3-methylbenzamide?
The IUPAC name of 5-amino-N-(2,2-dimethylheptyl)-2-fluoro-3-methylbenzamide (CID 103296661) is 5-amino-N-(2,2-dimethylheptyl)-2-fluoro-3-methylbenzamide.
What is the SMILES notation for 5-amino-N-(2,2-dimethylheptyl)-2-fluoro-3-methylbenzamide?
The canonical SMILES for 5-amino-N-(2,2-dimethylheptyl)-2-fluoro-3-methylbenzamide is CCCCCC(C)(C)CNC(=O)c1cc(N)cc(C)c1F.
What is the InChIKey of 5-amino-N-(2,2-dimethylheptyl)-2-fluoro-3-methylbenzamide?
The InChIKey is HZNVOSJETSOJBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2O/c1-5-6-7-8-17(3,4)11-20-16(21)14-10-13(19)9-12(2)15(14)18/h9-10H,5-8,11,19H2,1-4H3,(H,20,21).
What are the key properties of 5-amino-N-(2,2-dimethylheptyl)-2-fluoro-3-methylbenzamide?
5-amino-N-(2,2-dimethylheptyl)-2-fluoro-3-methylbenzamide has a molecular weight of 294.41 g/mol, XLogP of 4.05, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2,2-dimethylheptyl)-2-fluoro-3-methylbenzamide is sourced from PubChem (CID 103296661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).