4-chloro-7-fluoro-1-(3-methoxy-2-oxopropyl)indole-2,3-dione

C12H9ClFNO4 — CID 107507737

IUPAC4-chloro-7-fluoro-1-(3-methoxy-2-oxopropyl)indole-2,3-dione
SMILESCOCC(=O)CN1C(=O)C(=O)c2c(Cl)ccc(F)c21
InChIInChI=1S/C12H9ClFNO4/c1-19-5-6(16)4-15-10-8(14)3-2-7(13)9(10)11(17)12(15)18/h2-3H,4-5H2,1H3
InChIKeyGUNLICAMAKDGDL-UHFFFAOYSA-N
MW285.66 g/mol
LogP1.22
Rot. Bonds4

About 4-chloro-7-fluoro-1-(3-methoxy-2-oxopropyl)indole-2,3-dione

4-chloro-7-fluoro-1-(3-methoxy-2-oxopropyl)indole-2,3-dione (PubChem CID 107507737) has the molecular formula C12H9ClFNO4 and a molecular weight of 285.66 g/mol. Its IUPAC name is 4-chloro-7-fluoro-1-(3-methoxy-2-oxopropyl)indole-2,3-dione.

Molecular Properties

Compound Name4-chloro-7-fluoro-1-(3-methoxy-2-oxopropyl)indole-2,3-dione
PubChem CID107507737
Molecular FormulaC12H9ClFNO4
Molecular Weight285.66 g/mol
Exact Mass285.02
IUPAC Name4-chloro-7-fluoro-1-(3-methoxy-2-oxopropyl)indole-2,3-dione
SMILESCOCC(=O)CN1C(=O)C(=O)c2c(Cl)ccc(F)c21
InChIInChI=1S/C12H9ClFNO4/c1-19-5-6(16)4-15-10-8(14)3-2-7(13)9(10)11(17)12(15)18/h2-3H,4-5H2,1H3
InChIKeyGUNLICAMAKDGDL-UHFFFAOYSA-N
XLogP1.22
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.66
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-(4-chloro-7-fluoro-2,3-dioxoindol-1-yl)-2-methylbut-2-enoate
CID 77074373
3-(4-chloro-7-fluoro-2,3-dioxoindol-1-yl)-2,2-dimethylpropanoic acid
CID 79629370
N-butan-2-yl-2-(4-chloro-7-fluoro-2,3-dioxoindol-1-yl)acetamide
CID 61360256
4-chloro-7-fluoro-1-(2-methylpropyl)indole-2,3-dione
CID 61359084
1-butyl-4-chloro-7-fluoroindole-2,3-dione
CID 61358887
2-(4,7-difluoro-2,3-dioxoindol-1-yl)-N-(2-methoxyethyl)acetamide
CID 83206441
4-chloro-1-(2,3-dihydroxypropyl)-7-fluoroindole-2,3-dione
CID 82851176
1-(2-butoxyethyl)-4-chloro-7-fluoroindole-2,3-dione
CID 61483159
1-[2-(bromomethyl)butyl]-4-chloro-7-fluoroindole-2,3-dione
CID 64995254
1-(3-methoxy-2-oxopropyl)indole-2,3-dione
CID 107507634
propan-2-yl 2-(4,7-dichloro-2,3-dioxoindol-1-yl)acetate
CID 106988552
4-chloro-7-fluoro-1-(2-pyrrolidin-1-ylethyl)indole-2,3-dione
CID 61358305

Frequently Asked Questions

What is the IUPAC name of 4-chloro-7-fluoro-1-(3-methoxy-2-oxopropyl)indole-2,3-dione?
The IUPAC name of 4-chloro-7-fluoro-1-(3-methoxy-2-oxopropyl)indole-2,3-dione (CID 107507737) is 4-chloro-7-fluoro-1-(3-methoxy-2-oxopropyl)indole-2,3-dione.
What is the SMILES notation for 4-chloro-7-fluoro-1-(3-methoxy-2-oxopropyl)indole-2,3-dione?
The canonical SMILES for 4-chloro-7-fluoro-1-(3-methoxy-2-oxopropyl)indole-2,3-dione is COCC(=O)CN1C(=O)C(=O)c2c(Cl)ccc(F)c21.
What is the InChIKey of 4-chloro-7-fluoro-1-(3-methoxy-2-oxopropyl)indole-2,3-dione?
The InChIKey is GUNLICAMAKDGDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFNO4/c1-19-5-6(16)4-15-10-8(14)3-2-7(13)9(10)11(17)12(15)18/h2-3H,4-5H2,1H3.
What are the key properties of 4-chloro-7-fluoro-1-(3-methoxy-2-oxopropyl)indole-2,3-dione?
4-chloro-7-fluoro-1-(3-methoxy-2-oxopropyl)indole-2,3-dione has a molecular weight of 285.66 g/mol, XLogP of 1.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-7-fluoro-1-(3-methoxy-2-oxopropyl)indole-2,3-dione is sourced from PubChem (CID 107507737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).