N-[(4-fluorophenyl)methyl]-2-[5-hydroxypentyl(methyl)amino]acetamide

C15H23FN2O2 — CID 107203780

IUPACN-[(4-fluorophenyl)methyl]-2-[5-hydroxypentyl(methyl)amino]acetamide
SMILESCN(CCCCCO)CC(=O)NCc1ccc(F)cc1
InChIInChI=1S/C15H23FN2O2/c1-18(9-3-2-4-10-19)12-15(20)17-11-13-5-7-14(16)8-6-13/h5-8,19H,2-4,9-12H2,1H3,(H,17,20)
InChIKeyADTKYIFEBIZHNV-UHFFFAOYSA-N
MW282.36 g/mol
LogP1.54
Rot. Bonds9

About N-[(4-fluorophenyl)methyl]-2-[5-hydroxypentyl(methyl)amino]acetamide

N-[(4-fluorophenyl)methyl]-2-[5-hydroxypentyl(methyl)amino]acetamide (PubChem CID 107203780) has the molecular formula C15H23FN2O2 and a molecular weight of 282.36 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-[5-hydroxypentyl(methyl)amino]acetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-[5-hydroxypentyl(methyl)amino]acetamide
PubChem CID107203780
Molecular FormulaC15H23FN2O2
Molecular Weight282.36 g/mol
Exact Mass282.17
IUPAC NameN-[(4-fluorophenyl)methyl]-2-[5-hydroxypentyl(methyl)amino]acetamide
SMILESCN(CCCCCO)CC(=O)NCc1ccc(F)cc1
InChIInChI=1S/C15H23FN2O2/c1-18(9-3-2-4-10-19)12-15(20)17-11-13-5-7-14(16)8-6-13/h5-8,19H,2-4,9-12H2,1H3,(H,17,20)
InChIKeyADTKYIFEBIZHNV-UHFFFAOYSA-N
XLogP1.54
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-fluorophenyl)methyl]-5-hydroxypentanamide
CID 79199621
N-[(4-fluorophenyl)methyl]-2-[2-(2-methoxyphenoxy)ethyl-methylamino]acetamide
CID 60517286
2-[5-hydroxypentyl(methyl)amino]-N-(3-phenylpropyl)acetamide
CID 107204085
N-[(4-fluorophenyl)methyl]-2-[methyl(methylsulfonyl)amino]acetamide
CID 30464785
N-[(4-chlorophenyl)methyl]-2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]acetamide
CID 56539714
N-[(4-chlorophenyl)methyl]-2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]acetamide
CID 9253245
N-[(4-fluorophenyl)methyl]-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide
CID 8964387
3-[methyl-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]amino]propanoic acid
CID 60988089
N-[(4-fluorophenyl)methyl]-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]acetamide
CID 9222928
18-hydroxy-N-[[4-[(18-hydroxyoctadecanoylamino)methyl]phenyl]methyl]octadecanamide
CID 101321590
2-[acetyl-[(4-fluorophenyl)methyl]amino]-N-[(4-methylphenyl)methyl]acetamide
CID 113162350
2-[2-hydroxyethyl(methyl)amino]-N-(pyridin-3-ylmethyl)acetamide
CID 111113305

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-[5-hydroxypentyl(methyl)amino]acetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-[5-hydroxypentyl(methyl)amino]acetamide (CID 107203780) is N-[(4-fluorophenyl)methyl]-2-[5-hydroxypentyl(methyl)amino]acetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-[5-hydroxypentyl(methyl)amino]acetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-[5-hydroxypentyl(methyl)amino]acetamide is CN(CCCCCO)CC(=O)NCc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-[5-hydroxypentyl(methyl)amino]acetamide?
The InChIKey is ADTKYIFEBIZHNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O2/c1-18(9-3-2-4-10-19)12-15(20)17-11-13-5-7-14(16)8-6-13/h5-8,19H,2-4,9-12H2,1H3,(H,17,20).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-[5-hydroxypentyl(methyl)amino]acetamide?
N-[(4-fluorophenyl)methyl]-2-[5-hydroxypentyl(methyl)amino]acetamide has a molecular weight of 282.36 g/mol, XLogP of 1.54, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-[5-hydroxypentyl(methyl)amino]acetamide is sourced from PubChem (CID 107203780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).