5-amino-2-fluoro-N-(5-hydroxypentyl)-N-methylbenzamide

C13H19FN2O2 — CID 107197368

IUPAC5-amino-2-fluoro-N-(5-hydroxypentyl)-N-methylbenzamide
SMILESCN(CCCCCO)C(=O)c1cc(N)ccc1F
InChIInChI=1S/C13H19FN2O2/c1-16(7-3-2-4-8-17)13(18)11-9-10(15)5-6-12(11)14/h5-6,9,17H,2-4,7-8,15H2,1H3
InChIKeyHWAUBZRMSVJRPJ-UHFFFAOYSA-N
MW254.31 g/mol
LogP1.64
Rot. Bonds6

About 5-amino-2-fluoro-N-(5-hydroxypentyl)-N-methylbenzamide

5-amino-2-fluoro-N-(5-hydroxypentyl)-N-methylbenzamide (PubChem CID 107197368) has the molecular formula C13H19FN2O2 and a molecular weight of 254.31 g/mol. Its IUPAC name is 5-amino-2-fluoro-N-(5-hydroxypentyl)-N-methylbenzamide.

Molecular Properties

Compound Name5-amino-2-fluoro-N-(5-hydroxypentyl)-N-methylbenzamide
PubChem CID107197368
Molecular FormulaC13H19FN2O2
Molecular Weight254.31 g/mol
Exact Mass254.14
IUPAC Name5-amino-2-fluoro-N-(5-hydroxypentyl)-N-methylbenzamide
SMILESCN(CCCCCO)C(=O)c1cc(N)ccc1F
InChIInChI=1S/C13H19FN2O2/c1-16(7-3-2-4-8-17)13(18)11-9-10(15)5-6-12(11)14/h5-6,9,17H,2-4,7-8,15H2,1H3
InChIKeyHWAUBZRMSVJRPJ-UHFFFAOYSA-N
XLogP1.64
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-N-butyl-2-fluoro-N-methylbenzamide
CID 43510775
5-amino-2,4-difluoro-N-(5-hydroxypentyl)-N-methylbenzamide
CID 107197364
5-amino-2-fluoro-N-(5-hydroxypentyl)-N,3-dimethylbenzamide
CID 107197446
5-amino-2-fluoro-N-methyl-N-(2-methylsulfonylethyl)benzamide
CID 79844796
5-amino-2-fluoro-N-methyl-N-(2-pyridin-4-ylethyl)benzamide
CID 60913362
2-amino-N-(5-hydroxypentyl)-N,5-dimethylbenzamide
CID 107197361
4-fluoro-N-(5-hydroxypentyl)-N,2-dimethylbenzamide
CID 107199071
5-fluoro-2-hydroxy-N-(5-hydroxypentyl)-N-methylbenzamide
CID 107200248
2,4-dichloro-5-fluoro-N-(5-hydroxypentyl)-N-methylbenzamide
CID 107202624
5-hydroxypentyl 5-amino-2-fluorobenzoate
CID 62227358
5-amino-N-[(4-ethylphenyl)methyl]-2-fluoro-N-methylbenzamide
CID 43587026
5-amino-2-fluoro-N-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 43510882

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-fluoro-N-(5-hydroxypentyl)-N-methylbenzamide?
The IUPAC name of 5-amino-2-fluoro-N-(5-hydroxypentyl)-N-methylbenzamide (CID 107197368) is 5-amino-2-fluoro-N-(5-hydroxypentyl)-N-methylbenzamide.
What is the SMILES notation for 5-amino-2-fluoro-N-(5-hydroxypentyl)-N-methylbenzamide?
The canonical SMILES for 5-amino-2-fluoro-N-(5-hydroxypentyl)-N-methylbenzamide is CN(CCCCCO)C(=O)c1cc(N)ccc1F.
What is the InChIKey of 5-amino-2-fluoro-N-(5-hydroxypentyl)-N-methylbenzamide?
The InChIKey is HWAUBZRMSVJRPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2/c1-16(7-3-2-4-8-17)13(18)11-9-10(15)5-6-12(11)14/h5-6,9,17H,2-4,7-8,15H2,1H3.
What are the key properties of 5-amino-2-fluoro-N-(5-hydroxypentyl)-N-methylbenzamide?
5-amino-2-fluoro-N-(5-hydroxypentyl)-N-methylbenzamide has a molecular weight of 254.31 g/mol, XLogP of 1.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-fluoro-N-(5-hydroxypentyl)-N-methylbenzamide is sourced from PubChem (CID 107197368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).