1-[4-[3-[3-(1-fluoroethyl)phenyl]-2-(methylideneamino)butyl]phenyl]ethanone

C21H24FNO — CID 142452045

IUPAC1-[4-[3-[3-(1-fluoroethyl)phenyl]-2-(methylideneamino)butyl]phenyl]ethanone
SMILESC=NC(Cc1ccc(C(C)=O)cc1)C(C)c1cccc(C(C)F)c1
InChIInChI=1S/C21H24FNO/c1-14(19-6-5-7-20(13-19)15(2)22)21(23-4)12-17-8-10-18(11-9-17)16(3)24/h5-11,13-15,21H,4,12H2,1-3H3
InChIKeyVTDNRQAYGDZZIL-UHFFFAOYSA-N
MW325.43 g/mol
LogP5.34
Rot. Bonds7

About 1-[4-[3-[3-(1-fluoroethyl)phenyl]-2-(methylideneamino)butyl]phenyl]ethanone

1-[4-[3-[3-(1-fluoroethyl)phenyl]-2-(methylideneamino)butyl]phenyl]ethanone (PubChem CID 142452045) has the molecular formula C21H24FNO and a molecular weight of 325.43 g/mol. Its IUPAC name is 1-[4-[3-[3-(1-fluoroethyl)phenyl]-2-(methylideneamino)butyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[3-[3-(1-fluoroethyl)phenyl]-2-(methylideneamino)butyl]phenyl]ethanone
PubChem CID142452045
Molecular FormulaC21H24FNO
Molecular Weight325.43 g/mol
Exact Mass325.18
IUPAC Name1-[4-[3-[3-(1-fluoroethyl)phenyl]-2-(methylideneamino)butyl]phenyl]ethanone
SMILESC=NC(Cc1ccc(C(C)=O)cc1)C(C)c1cccc(C(C)F)c1
InChIInChI=1S/C21H24FNO/c1-14(19-6-5-7-20(13-19)15(2)22)21(23-4)12-17-8-10-18(11-9-17)16(3)24/h5-11,13-15,21H,4,12H2,1-3H3
InChIKeyVTDNRQAYGDZZIL-UHFFFAOYSA-N
XLogP5.34
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.43
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 1-[4-[3-[3-(1-fluoroethyl)phenyl]-2-(methylideneamino)butyl]phenyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-[3-(1-fluoroethyl)phenyl]-2-(methylideneamino)butyl]phenyl]ethanone?
The IUPAC name of 1-[4-[3-[3-(1-fluoroethyl)phenyl]-2-(methylideneamino)butyl]phenyl]ethanone (CID 142452045) is 1-[4-[3-[3-(1-fluoroethyl)phenyl]-2-(methylideneamino)butyl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[3-[3-(1-fluoroethyl)phenyl]-2-(methylideneamino)butyl]phenyl]ethanone?
The canonical SMILES for 1-[4-[3-[3-(1-fluoroethyl)phenyl]-2-(methylideneamino)butyl]phenyl]ethanone is C=NC(Cc1ccc(C(C)=O)cc1)C(C)c1cccc(C(C)F)c1.
What is the InChIKey of 1-[4-[3-[3-(1-fluoroethyl)phenyl]-2-(methylideneamino)butyl]phenyl]ethanone?
The InChIKey is VTDNRQAYGDZZIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FNO/c1-14(19-6-5-7-20(13-19)15(2)22)21(23-4)12-17-8-10-18(11-9-17)16(3)24/h5-11,13-15,21H,4,12H2,1-3H3.
What are the key properties of 1-[4-[3-[3-(1-fluoroethyl)phenyl]-2-(methylideneamino)butyl]phenyl]ethanone?
1-[4-[3-[3-(1-fluoroethyl)phenyl]-2-(methylideneamino)butyl]phenyl]ethanone has a molecular weight of 325.43 g/mol, XLogP of 5.34, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-[3-(1-fluoroethyl)phenyl]-2-(methylideneamino)butyl]phenyl]ethanone is sourced from PubChem (CID 142452045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).