3-(decylamino)-1-(4-fluorophenyl)propan-1-one

C19H30FNO — CID 10267229

IUPAC3-(decylamino)-1-(4-fluorophenyl)propan-1-one
SMILESCCCCCCCCCCNCCC(=O)c1ccc(F)cc1
InChIInChI=1S/C19H30FNO/c1-2-3-4-5-6-7-8-9-15-21-16-14-19(22)17-10-12-18(20)13-11-17/h10-13,21H,2-9,14-16H2,1H3
InChIKeyJBWDGASBYIFBQU-UHFFFAOYSA-N
MW307.45 g/mol
LogP5.13
Rot. Bonds13

About 3-(decylamino)-1-(4-fluorophenyl)propan-1-one

3-(decylamino)-1-(4-fluorophenyl)propan-1-one (PubChem CID 10267229) has the molecular formula C19H30FNO and a molecular weight of 307.45 g/mol. Its IUPAC name is 3-(decylamino)-1-(4-fluorophenyl)propan-1-one.

Molecular Properties

Compound Name3-(decylamino)-1-(4-fluorophenyl)propan-1-one
PubChem CID10267229
Molecular FormulaC19H30FNO
Molecular Weight307.45 g/mol
Exact Mass307.23
IUPAC Name3-(decylamino)-1-(4-fluorophenyl)propan-1-one
SMILESCCCCCCCCCCNCCC(=O)c1ccc(F)cc1
InChIInChI=1S/C19H30FNO/c1-2-3-4-5-6-7-8-9-15-21-16-14-19(22)17-10-12-18(20)13-11-17/h10-13,21H,2-9,14-16H2,1H3
InChIKeyJBWDGASBYIFBQU-UHFFFAOYSA-N
XLogP5.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.45
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(decylamino)-1-(4-fluorophenyl)propan-1-one?
The IUPAC name of 3-(decylamino)-1-(4-fluorophenyl)propan-1-one (CID 10267229) is 3-(decylamino)-1-(4-fluorophenyl)propan-1-one.
What is the SMILES notation for 3-(decylamino)-1-(4-fluorophenyl)propan-1-one?
The canonical SMILES for 3-(decylamino)-1-(4-fluorophenyl)propan-1-one is CCCCCCCCCCNCCC(=O)c1ccc(F)cc1.
What is the InChIKey of 3-(decylamino)-1-(4-fluorophenyl)propan-1-one?
The InChIKey is JBWDGASBYIFBQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30FNO/c1-2-3-4-5-6-7-8-9-15-21-16-14-19(22)17-10-12-18(20)13-11-17/h10-13,21H,2-9,14-16H2,1H3.
What are the key properties of 3-(decylamino)-1-(4-fluorophenyl)propan-1-one?
3-(decylamino)-1-(4-fluorophenyl)propan-1-one has a molecular weight of 307.45 g/mol, XLogP of 5.13, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(decylamino)-1-(4-fluorophenyl)propan-1-one is sourced from PubChem (CID 10267229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).