3-[2-(3-fluorophenyl)ethylamino]azepan-2-one

C14H19FN2O — CID 43420602

IUPAC3-[2-(3-fluorophenyl)ethylamino]azepan-2-one
SMILESO=C1NCCCCC1NCCc1cccc(F)c1
InChIInChI=1S/C14H19FN2O/c15-12-5-3-4-11(10-12)7-9-16-13-6-1-2-8-17-14(13)18/h3-5,10,13,16H,1-2,6-9H2,(H,17,18)
InChIKeyLDNRPZFYONAWHY-UHFFFAOYSA-N
MW250.32 g/mol
LogP1.63
Rot. Bonds4

About 3-[2-(3-fluorophenyl)ethylamino]azepan-2-one

3-[2-(3-fluorophenyl)ethylamino]azepan-2-one (PubChem CID 43420602) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is 3-[2-(3-fluorophenyl)ethylamino]azepan-2-one.

Molecular Properties

Compound Name3-[2-(3-fluorophenyl)ethylamino]azepan-2-one
PubChem CID43420602
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC Name3-[2-(3-fluorophenyl)ethylamino]azepan-2-one
SMILESO=C1NCCCCC1NCCc1cccc(F)c1
InChIInChI=1S/C14H19FN2O/c15-12-5-3-4-11(10-12)7-9-16-13-6-1-2-8-17-14(13)18/h3-5,10,13,16H,1-2,6-9H2,(H,17,18)
InChIKeyLDNRPZFYONAWHY-UHFFFAOYSA-N
XLogP1.63
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[2-(3-fluorophenyl)ethylamino]azepan-2-one with MolForge

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

Launch Full Analysis

Related Compounds

3-(2-phenylethylamino)azepan-2-one
CID 43199237
3-(2-phenylethylamino)piperidin-2-one
CID 62093018
3-(2-pyridin-3-ylethylamino)azepan-2-one
CID 60914794
3-[(3,5-difluorophenyl)methylamino]azepan-2-one
CID 103613609
3-(2-pyridin-3-ylethylamino)piperidin-2-one
CID 63264736
(3S)-3-(benzylamino)azepan-2-one
CID 40582762
3-[[3-(trifluoromethyl)phenyl]methylamino]azepan-2-one
CID 43199156
(3R)-3-[(3-fluorophenyl)methyl]piperidin-2-one
CID 124592992
3-[[4-[(3-fluorophenyl)methylamino]phenyl]methylamino]pyrrolidin-2-one
CID 54212623
1-cyclopropyl-3-[2-(3-fluorophenyl)ethylamino]pyrrolidine-2,5-dione
CID 43636842
3-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]azepan-2-one
CID 112732481
3-[(5-fluoro-2-hydroxyphenyl)methylamino]piperidin-2-one
CID 113356898

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-fluorophenyl)ethylamino]azepan-2-one?
The IUPAC name of 3-[2-(3-fluorophenyl)ethylamino]azepan-2-one (CID 43420602) is 3-[2-(3-fluorophenyl)ethylamino]azepan-2-one.
What is the SMILES notation for 3-[2-(3-fluorophenyl)ethylamino]azepan-2-one?
The canonical SMILES for 3-[2-(3-fluorophenyl)ethylamino]azepan-2-one is O=C1NCCCCC1NCCc1cccc(F)c1.
What is the InChIKey of 3-[2-(3-fluorophenyl)ethylamino]azepan-2-one?
The InChIKey is LDNRPZFYONAWHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O/c15-12-5-3-4-11(10-12)7-9-16-13-6-1-2-8-17-14(13)18/h3-5,10,13,16H,1-2,6-9H2,(H,17,18).
What are the key properties of 3-[2-(3-fluorophenyl)ethylamino]azepan-2-one?
3-[2-(3-fluorophenyl)ethylamino]azepan-2-one has a molecular weight of 250.32 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-fluorophenyl)ethylamino]azepan-2-one is sourced from PubChem (CID 43420602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).