7-fluoro-6-[3-(phenylmethoxymethyl)azetidine-1-carbonyl]-4H-chromen-3-one

C21H20FNO4 — CID 158467768

IUPAC7-fluoro-6-[3-(phenylmethoxymethyl)azetidine-1-carbonyl]-4H-chromen-3-one
SMILESO=C1COc2cc(F)c(C(=O)N3CC(COCc4ccccc4)C3)cc2C1
InChIInChI=1S/C21H20FNO4/c22-19-8-20-16(6-17(24)13-27-20)7-18(19)21(25)23-9-15(10-23)12-26-11-14-4-2-1-3-5-14/h1-5,7-8,15H,6,9-13H2
InChIKeyHFYRURIJXBWDAO-UHFFFAOYSA-N
MW369.39 g/mol
LogP2.62
Rot. Bonds5

About 7-fluoro-6-[3-(phenylmethoxymethyl)azetidine-1-carbonyl]-4H-chromen-3-one

7-fluoro-6-[3-(phenylmethoxymethyl)azetidine-1-carbonyl]-4H-chromen-3-one (PubChem CID 158467768) has the molecular formula C21H20FNO4 and a molecular weight of 369.39 g/mol. Its IUPAC name is 7-fluoro-6-[3-(phenylmethoxymethyl)azetidine-1-carbonyl]-4H-chromen-3-one.

Molecular Properties

Compound Name7-fluoro-6-[3-(phenylmethoxymethyl)azetidine-1-carbonyl]-4H-chromen-3-one
PubChem CID158467768
Molecular FormulaC21H20FNO4
Molecular Weight369.39 g/mol
Exact Mass369.14
IUPAC Name7-fluoro-6-[3-(phenylmethoxymethyl)azetidine-1-carbonyl]-4H-chromen-3-one
SMILESO=C1COc2cc(F)c(C(=O)N3CC(COCc4ccccc4)C3)cc2C1
InChIInChI=1S/C21H20FNO4/c22-19-8-20-16(6-17(24)13-27-20)7-18(19)21(25)23-9-15(10-23)12-26-11-14-4-2-1-3-5-14/h1-5,7-8,15H,6,9-13H2
InChIKeyHFYRURIJXBWDAO-UHFFFAOYSA-N
XLogP2.62
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.39
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-fluoro-6-[3-(phenylmethoxymethyl)azetidine-1-carbonyl]-4H-chromen-3-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

7-fluoro-6-[3-[[2-fluoro-4-(6-methyl-3-pyridinyl)phenoxy]methyl]azetidine-1-carbonyl]-4H-chromen-3-one
CID 159963140
7-fluoro-6-[3-[[2-fluoro-4-(2-methyl-4-pyridinyl)phenoxy]methyl]azetidine-1-carbonyl]-4H-chromen-3-one
CID 149273395
6-[3-[[4-chloro-2-(2-methyl-3-pyridinyl)phenoxy]methyl]azetidine-1-carbonyl]-7-fluoro-4H-chromen-3-one
CID 160770811
6-[3-[[4-chloro-2-(2-chloro-4-pyridinyl)phenoxy]methyl]azetidine-1-carbonyl]-7-fluoro-4H-chromen-3-one
CID 159720553
6-[3-[1-(2,6-difluorophenoxy)ethyl]azetidine-1-carbonyl]-7-fluoro-4H-chromen-3-one
CID 146818564
6-[3-[(2-chloro-4-methoxyphenyl)methoxy]azetidine-1-carbonyl]-7-fluoro-4H-chromen-3-one
CID 159877431
(2-fluorophenyl)-[3-(phenylmethoxymethyl)piperidin-1-yl]methanone
CID 90505160
6-[3-[1-(4-chloro-2-fluorophenoxy)-2-methoxyethyl]azetidine-1-carbonyl]-7-fluoro-4H-chromen-3-one
CID 159341680
(5-hydroxy-2-nitrophenyl)-[(3R)-3-(phenylmethoxymethyl)pyrrolidin-1-yl]methanone
CID 99801887
3-(phenylmethoxymethyl)pyrrolidine-1-carboxamide
CID 130818239
2-[2-[3-(phenylmethoxymethyl)pyrrolidine-1-carbonyl]phenyl]sulfanylpropanoic acid
CID 119186825
(5-amino-2-methylphenyl)-[3-(phenylmethoxymethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 120636524

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-6-[3-(phenylmethoxymethyl)azetidine-1-carbonyl]-4H-chromen-3-one?
The IUPAC name of 7-fluoro-6-[3-(phenylmethoxymethyl)azetidine-1-carbonyl]-4H-chromen-3-one (CID 158467768) is 7-fluoro-6-[3-(phenylmethoxymethyl)azetidine-1-carbonyl]-4H-chromen-3-one.
What is the SMILES notation for 7-fluoro-6-[3-(phenylmethoxymethyl)azetidine-1-carbonyl]-4H-chromen-3-one?
The canonical SMILES for 7-fluoro-6-[3-(phenylmethoxymethyl)azetidine-1-carbonyl]-4H-chromen-3-one is O=C1COc2cc(F)c(C(=O)N3CC(COCc4ccccc4)C3)cc2C1.
What is the InChIKey of 7-fluoro-6-[3-(phenylmethoxymethyl)azetidine-1-carbonyl]-4H-chromen-3-one?
The InChIKey is HFYRURIJXBWDAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FNO4/c22-19-8-20-16(6-17(24)13-27-20)7-18(19)21(25)23-9-15(10-23)12-26-11-14-4-2-1-3-5-14/h1-5,7-8,15H,6,9-13H2.
What are the key properties of 7-fluoro-6-[3-(phenylmethoxymethyl)azetidine-1-carbonyl]-4H-chromen-3-one?
7-fluoro-6-[3-(phenylmethoxymethyl)azetidine-1-carbonyl]-4H-chromen-3-one has a molecular weight of 369.39 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-6-[3-(phenylmethoxymethyl)azetidine-1-carbonyl]-4H-chromen-3-one is sourced from PubChem (CID 158467768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).