(4-fluorophenyl)-[4-[6-[methyl(prop-2-enyl)amino]hexoxy]phenyl]methanone

C23H28FNO2 — CID 11014097

IUPAC(4-fluorophenyl)-[4-[6-[methyl(prop-2-enyl)amino]hexoxy]phenyl]methanone
SMILESC=CCN(C)CCCCCCOc1ccc(C(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C23H28FNO2/c1-3-16-25(2)17-6-4-5-7-18-27-22-14-10-20(11-15-22)23(26)19-8-12-21(24)13-9-19/h3,8-15H,1,4-7,16-18H2,2H3
InChIKeyYAFKPXBOIWDHOW-UHFFFAOYSA-N
MW369.48 g/mol
LogP5.11
Rot. Bonds12

About (4-fluorophenyl)-[4-[6-[methyl(prop-2-enyl)amino]hexoxy]phenyl]methanone

(4-fluorophenyl)-[4-[6-[methyl(prop-2-enyl)amino]hexoxy]phenyl]methanone (PubChem CID 11014097) has the molecular formula C23H28FNO2 and a molecular weight of 369.48 g/mol. Its IUPAC name is (4-fluorophenyl)-[4-[6-[methyl(prop-2-enyl)amino]hexoxy]phenyl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[4-[6-[methyl(prop-2-enyl)amino]hexoxy]phenyl]methanone
PubChem CID11014097
Molecular FormulaC23H28FNO2
Molecular Weight369.48 g/mol
Exact Mass369.21
IUPAC Name(4-fluorophenyl)-[4-[6-[methyl(prop-2-enyl)amino]hexoxy]phenyl]methanone
SMILESC=CCN(C)CCCCCCOc1ccc(C(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C23H28FNO2/c1-3-16-25(2)17-6-4-5-7-18-27-22-14-10-20(11-15-22)23(26)19-8-12-21(24)13-9-19/h3,8-15H,1,4-7,16-18H2,2H3
InChIKeyYAFKPXBOIWDHOW-UHFFFAOYSA-N
XLogP5.11
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.48
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[4-[6-[methyl(prop-2-enyl)amino]hexoxy]phenyl]methanone?
The IUPAC name of (4-fluorophenyl)-[4-[6-[methyl(prop-2-enyl)amino]hexoxy]phenyl]methanone (CID 11014097) is (4-fluorophenyl)-[4-[6-[methyl(prop-2-enyl)amino]hexoxy]phenyl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[4-[6-[methyl(prop-2-enyl)amino]hexoxy]phenyl]methanone?
The canonical SMILES for (4-fluorophenyl)-[4-[6-[methyl(prop-2-enyl)amino]hexoxy]phenyl]methanone is C=CCN(C)CCCCCCOc1ccc(C(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of (4-fluorophenyl)-[4-[6-[methyl(prop-2-enyl)amino]hexoxy]phenyl]methanone?
The InChIKey is YAFKPXBOIWDHOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FNO2/c1-3-16-25(2)17-6-4-5-7-18-27-22-14-10-20(11-15-22)23(26)19-8-12-21(24)13-9-19/h3,8-15H,1,4-7,16-18H2,2H3.
What are the key properties of (4-fluorophenyl)-[4-[6-[methyl(prop-2-enyl)amino]hexoxy]phenyl]methanone?
(4-fluorophenyl)-[4-[6-[methyl(prop-2-enyl)amino]hexoxy]phenyl]methanone has a molecular weight of 369.48 g/mol, XLogP of 5.11, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[4-[6-[methyl(prop-2-enyl)amino]hexoxy]phenyl]methanone is sourced from PubChem (CID 11014097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).