6-[3-[(2,4-dichlorophenyl)methoxy]azetidine-1-carbonyl]-7-fluoro-4H-chromen-3-one

C20H16Cl2FNO4 — CID 159621255

IUPAC6-[3-[(2,4-dichlorophenyl)methoxy]azetidine-1-carbonyl]-7-fluoro-4H-chromen-3-one
SMILESO=C1COc2cc(F)c(C(=O)N3CC(OCc4ccc(Cl)cc4Cl)C3)cc2C1
InChIInChI=1S/C20H16Cl2FNO4/c21-13-2-1-11(17(22)5-13)9-27-15-7-24(8-15)20(26)16-4-12-3-14(25)10-28-19(12)6-18(16)23/h1-2,4-6,15H,3,7-10H2
InChIKeyMNXKZSFZELCFHL-UHFFFAOYSA-N
MW424.26 g/mol
LogP3.68
Rot. Bonds4

About 6-[3-[(2,4-dichlorophenyl)methoxy]azetidine-1-carbonyl]-7-fluoro-4H-chromen-3-one

6-[3-[(2,4-dichlorophenyl)methoxy]azetidine-1-carbonyl]-7-fluoro-4H-chromen-3-one (PubChem CID 159621255) has the molecular formula C20H16Cl2FNO4 and a molecular weight of 424.26 g/mol. Its IUPAC name is 6-[3-[(2,4-dichlorophenyl)methoxy]azetidine-1-carbonyl]-7-fluoro-4H-chromen-3-one.

Molecular Properties

Compound Name6-[3-[(2,4-dichlorophenyl)methoxy]azetidine-1-carbonyl]-7-fluoro-4H-chromen-3-one
PubChem CID159621255
Molecular FormulaC20H16Cl2FNO4
Molecular Weight424.26 g/mol
Exact Mass423.04
IUPAC Name6-[3-[(2,4-dichlorophenyl)methoxy]azetidine-1-carbonyl]-7-fluoro-4H-chromen-3-one
SMILESO=C1COc2cc(F)c(C(=O)N3CC(OCc4ccc(Cl)cc4Cl)C3)cc2C1
InChIInChI=1S/C20H16Cl2FNO4/c21-13-2-1-11(17(22)5-13)9-27-15-7-24(8-15)20(26)16-4-12-3-14(25)10-28-19(12)6-18(16)23/h1-2,4-6,15H,3,7-10H2
InChIKeyMNXKZSFZELCFHL-UHFFFAOYSA-N
XLogP3.68
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.26
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-[3-[(2-chloro-4-methoxyphenyl)methoxy]azetidine-1-carbonyl]-7-fluoro-4H-chromen-3-one
CID 159877431
6-[3-[1-(4-chloro-2-fluorophenoxy)-2-methoxyethyl]azetidine-1-carbonyl]-7-fluoro-4H-chromen-3-one
CID 159341680
7-fluoro-6-[3-(phenylmethoxymethyl)azetidine-1-carbonyl]-4H-chromen-3-one
CID 158467768
2-chloro-4-[[1-(7-fluoro-3-oxo-4H-chromene-6-carbonyl)azetidin-3-yl]methoxy]benzonitrile
CID 147938992
6-[3-[[4-chloro-2-(2-chloro-4-pyridinyl)phenoxy]methyl]azetidine-1-carbonyl]-7-fluoro-4H-chromen-3-one
CID 159720553
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-(6-methyl-2-pyridinyl)phenoxy]methyl]azetidine-1-carbonyl]-7-fluoro-4H-chromen-3-one
CID 152856609
6-[3-[1-(2,6-difluorophenoxy)ethyl]azetidine-1-carbonyl]-7-fluoro-4H-chromen-3-one
CID 146818564
4-[(2-chloro-4-fluorophenoxy)methyl]-1-(7-fluoro-3-oxo-4H-chromene-6-carbonyl)piperidine-4-carbonitrile
CID 147859417
7-fluoro-6-[3-[[2-fluoro-4-(2-fluoro-4-pyridinyl)phenoxy]methyl]azetidine-1-carbonyl]-4H-chromen-3-one
CID 158478256
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

Frequently Asked Questions

What is the IUPAC name of 6-[3-[(2,4-dichlorophenyl)methoxy]azetidine-1-carbonyl]-7-fluoro-4H-chromen-3-one?
The IUPAC name of 6-[3-[(2,4-dichlorophenyl)methoxy]azetidine-1-carbonyl]-7-fluoro-4H-chromen-3-one (CID 159621255) is 6-[3-[(2,4-dichlorophenyl)methoxy]azetidine-1-carbonyl]-7-fluoro-4H-chromen-3-one.
What is the SMILES notation for 6-[3-[(2,4-dichlorophenyl)methoxy]azetidine-1-carbonyl]-7-fluoro-4H-chromen-3-one?
The canonical SMILES for 6-[3-[(2,4-dichlorophenyl)methoxy]azetidine-1-carbonyl]-7-fluoro-4H-chromen-3-one is O=C1COc2cc(F)c(C(=O)N3CC(OCc4ccc(Cl)cc4Cl)C3)cc2C1.
What is the InChIKey of 6-[3-[(2,4-dichlorophenyl)methoxy]azetidine-1-carbonyl]-7-fluoro-4H-chromen-3-one?
The InChIKey is MNXKZSFZELCFHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl2FNO4/c21-13-2-1-11(17(22)5-13)9-27-15-7-24(8-15)20(26)16-4-12-3-14(25)10-28-19(12)6-18(16)23/h1-2,4-6,15H,3,7-10H2.
What are the key properties of 6-[3-[(2,4-dichlorophenyl)methoxy]azetidine-1-carbonyl]-7-fluoro-4H-chromen-3-one?
6-[3-[(2,4-dichlorophenyl)methoxy]azetidine-1-carbonyl]-7-fluoro-4H-chromen-3-one has a molecular weight of 424.26 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[(2,4-dichlorophenyl)methoxy]azetidine-1-carbonyl]-7-fluoro-4H-chromen-3-one is sourced from PubChem (CID 159621255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).