7-amino-N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]heptanamide

C15H23FN2O2 — CID 119744874

IUPAC7-amino-N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]heptanamide
SMILESNCCCCCCC(=O)NCc1ccc(CO)c(F)c1
InChIInChI=1S/C15H23FN2O2/c16-14-9-12(6-7-13(14)11-19)10-18-15(20)5-3-1-2-4-8-17/h6-7,9,19H,1-5,8,10-11,17H2,(H,18,20)
InChIKeyGWAAHMXQSZCCOL-UHFFFAOYSA-N
MW282.36 g/mol
LogP1.84
Rot. Bonds9

About 7-amino-N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]heptanamide

7-amino-N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]heptanamide (PubChem CID 119744874) has the molecular formula C15H23FN2O2 and a molecular weight of 282.36 g/mol. Its IUPAC name is 7-amino-N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]heptanamide.

Molecular Properties

Compound Name7-amino-N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]heptanamide
PubChem CID119744874
Molecular FormulaC15H23FN2O2
Molecular Weight282.36 g/mol
Exact Mass282.17
IUPAC Name7-amino-N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]heptanamide
SMILESNCCCCCCC(=O)NCc1ccc(CO)c(F)c1
InChIInChI=1S/C15H23FN2O2/c16-14-9-12(6-7-13(14)11-19)10-18-15(20)5-3-1-2-4-8-17/h6-7,9,19H,1-5,8,10-11,17H2,(H,18,20)
InChIKeyGWAAHMXQSZCCOL-UHFFFAOYSA-N
XLogP1.84
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(Acetamidomethyl)benzoic acid
CID 506064
N-[(4-fluorophenyl)methyl]-2-[(1S,4S,5S)-4-(hydroxymethyl)-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]acetamide
CID 38030102
2-[(1S,4S,5S)-4-(hydroxymethyl)-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 38030074
N-[2-hydroxy-2-(4-methylphenyl)ethyl]tetradecanamide
CID 71454782
N-[2-hydroxy-2-(4-propylphenyl)ethyl]tetradecanamide
CID 71458405
N-[2-(4-ethylphenyl)-2-hydroxyethyl]tetradecanamide
CID 71460247
N-(4-Hydroxymethylbenzyl)trifluoroacetamide
CID 15852209
4-(Prop-2-enamidomethyl)benzoic acid
CID 24707669
4-(2-Hydroxyethylcarbamoyl)benzoic acid
CID 53876467
4-[3-[4-(3-Aminopropylamino)butylamino]propylcarbamoyl]benzoic acid
CID 11248156
N-[(3,5-difluorophenyl)methyl]-2-[(1S,4S,5S)-4-(hydroxymethyl)-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]acetamide
CID 38030201
N-(2-hydroxy-2-(4-(trifluoromethyl)phenyl)ethyl)pent-4-enamide
CID 56765421

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]heptanamide?
The IUPAC name of 7-amino-N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]heptanamide (CID 119744874) is 7-amino-N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]heptanamide.
What is the SMILES notation for 7-amino-N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]heptanamide?
The canonical SMILES for 7-amino-N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]heptanamide is NCCCCCCC(=O)NCc1ccc(CO)c(F)c1.
What is the InChIKey of 7-amino-N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]heptanamide?
The InChIKey is GWAAHMXQSZCCOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O2/c16-14-9-12(6-7-13(14)11-19)10-18-15(20)5-3-1-2-4-8-17/h6-7,9,19H,1-5,8,10-11,17H2,(H,18,20).
What are the key properties of 7-amino-N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]heptanamide?
7-amino-N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]heptanamide has a molecular weight of 282.36 g/mol, XLogP of 1.84, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]heptanamide is sourced from PubChem (CID 119744874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).