4-[3-fluoro-2-(1-hydroxyethyl)phenyl]-1-methyl-1,4-diazepan-2-one

C14H19FN2O2 — CID 102889515

IUPAC4-[3-fluoro-2-(1-hydroxyethyl)phenyl]-1-methyl-1,4-diazepan-2-one
SMILESCC(O)c1c(F)cccc1N1CCCN(C)C(=O)C1
InChIInChI=1S/C14H19FN2O2/c1-10(18)14-11(15)5-3-6-12(14)17-8-4-7-16(2)13(19)9-17/h3,5-6,10,18H,4,7-9H2,1-2H3
InChIKeyADHYIFABBXRMBA-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.55
Rot. Bonds2

About 4-[3-fluoro-2-(1-hydroxyethyl)phenyl]-1-methyl-1,4-diazepan-2-one

4-[3-fluoro-2-(1-hydroxyethyl)phenyl]-1-methyl-1,4-diazepan-2-one (PubChem CID 102889515) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is 4-[3-fluoro-2-(1-hydroxyethyl)phenyl]-1-methyl-1,4-diazepan-2-one.

Molecular Properties

Compound Name4-[3-fluoro-2-(1-hydroxyethyl)phenyl]-1-methyl-1,4-diazepan-2-one
PubChem CID102889515
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Name4-[3-fluoro-2-(1-hydroxyethyl)phenyl]-1-methyl-1,4-diazepan-2-one
SMILESCC(O)c1c(F)cccc1N1CCCN(C)C(=O)C1
InChIInChI=1S/C14H19FN2O2/c1-10(18)14-11(15)5-3-6-12(14)17-8-4-7-16(2)13(19)9-17/h3,5-6,10,18H,4,7-9H2,1-2H3
InChIKeyADHYIFABBXRMBA-UHFFFAOYSA-N
XLogP1.55
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[3-fluoro-2-(1-hydroxyethyl)phenyl]-1-methyl-1,4-diazepan-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

4-[2-[(1R)-1-hydroxyethyl]-3-methoxyphenyl]-1-methyl-1,4-diazepan-2-one
CID 102889530
(1R)-1-(2-fluoro-6-pyrrolidin-1-ylphenyl)ethanol
CID 63371551
(1R)-1-[2-(azocan-1-yl)-6-fluorophenyl]ethanol
CID 55183727
(1S)-1-[2-(azocan-1-yl)-6-fluorophenyl]ethanol
CID 78939415
(1R)-1-[2-fluoro-6-(4-methylpiperazin-1-yl)phenyl]ethanol
CID 63371574
(1S)-1-(2-fluoro-6-thiomorpholin-4-ylphenyl)ethanol
CID 78939436
4-[2-bromo-4-[(1S)-1-hydroxyethyl]phenyl]-1-methyl-1,4-diazepan-2-one
CID 102889507
(1R)-1-[2-fluoro-6-(4-methylsulfonylpiperazin-1-yl)phenyl]ethanol
CID 63371860
1-[3-fluoro-2-(1-hydroxyethyl)phenyl]-1,4-diazepan-5-one
CID 55133341
1-[3-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]-1,4-diazepan-5-one
CID 78941119
4-(2-bromophenyl)-1-methyl-1,4-diazepan-2-one
CID 117005401
(1S)-1-[2-(3,4-dimethylpiperazin-1-yl)-6-fluorophenyl]ethanol
CID 78946556

Frequently Asked Questions

What is the IUPAC name of 4-[3-fluoro-2-(1-hydroxyethyl)phenyl]-1-methyl-1,4-diazepan-2-one?
The IUPAC name of 4-[3-fluoro-2-(1-hydroxyethyl)phenyl]-1-methyl-1,4-diazepan-2-one (CID 102889515) is 4-[3-fluoro-2-(1-hydroxyethyl)phenyl]-1-methyl-1,4-diazepan-2-one.
What is the SMILES notation for 4-[3-fluoro-2-(1-hydroxyethyl)phenyl]-1-methyl-1,4-diazepan-2-one?
The canonical SMILES for 4-[3-fluoro-2-(1-hydroxyethyl)phenyl]-1-methyl-1,4-diazepan-2-one is CC(O)c1c(F)cccc1N1CCCN(C)C(=O)C1.
What is the InChIKey of 4-[3-fluoro-2-(1-hydroxyethyl)phenyl]-1-methyl-1,4-diazepan-2-one?
The InChIKey is ADHYIFABBXRMBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-10(18)14-11(15)5-3-6-12(14)17-8-4-7-16(2)13(19)9-17/h3,5-6,10,18H,4,7-9H2,1-2H3.
What are the key properties of 4-[3-fluoro-2-(1-hydroxyethyl)phenyl]-1-methyl-1,4-diazepan-2-one?
4-[3-fluoro-2-(1-hydroxyethyl)phenyl]-1-methyl-1,4-diazepan-2-one has a molecular weight of 266.32 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-fluoro-2-(1-hydroxyethyl)phenyl]-1-methyl-1,4-diazepan-2-one is sourced from PubChem (CID 102889515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).