3,4-dichloro-2-(4-methylanilino)-2H-furan-5-one

C11H9Cl2NO2 — CID 117060367

IUPAC3,4-dichloro-2-(4-methylanilino)-2H-furan-5-one
SMILESCc1ccc(NC2OC(=O)C(Cl)=C2Cl)cc1
InChIInChI=1S/C11H9Cl2NO2/c1-6-2-4-7(5-3-6)14-10-8(12)9(13)11(15)16-10/h2-5,10,14H,1H3
InChIKeyVZIODGXBLRNRHF-UHFFFAOYSA-N
MW258.10 g/mol
LogP2.98
Rot. Bonds2

About 3,4-dichloro-2-(4-methylanilino)-2H-furan-5-one

3,4-dichloro-2-(4-methylanilino)-2H-furan-5-one (PubChem CID 117060367) has the molecular formula C11H9Cl2NO2 and a molecular weight of 258.10 g/mol. Its IUPAC name is 3,4-dichloro-2-(4-methylanilino)-2H-furan-5-one.

Molecular Properties

Compound Name3,4-dichloro-2-(4-methylanilino)-2H-furan-5-one
PubChem CID117060367
Molecular FormulaC11H9Cl2NO2
Molecular Weight258.10 g/mol
Exact Mass257.00
IUPAC Name3,4-dichloro-2-(4-methylanilino)-2H-furan-5-one
SMILESCc1ccc(NC2OC(=O)C(Cl)=C2Cl)cc1
InChIInChI=1S/C11H9Cl2NO2/c1-6-2-4-7(5-3-6)14-10-8(12)9(13)11(15)16-10/h2-5,10,14H,1H3
InChIKeyVZIODGXBLRNRHF-UHFFFAOYSA-N
XLogP2.98
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.10
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 20536473
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CID 20549305
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CID 20549319
CID 20549319

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-2-(4-methylanilino)-2H-furan-5-one?
The IUPAC name of 3,4-dichloro-2-(4-methylanilino)-2H-furan-5-one (CID 117060367) is 3,4-dichloro-2-(4-methylanilino)-2H-furan-5-one.
What is the SMILES notation for 3,4-dichloro-2-(4-methylanilino)-2H-furan-5-one?
The canonical SMILES for 3,4-dichloro-2-(4-methylanilino)-2H-furan-5-one is Cc1ccc(NC2OC(=O)C(Cl)=C2Cl)cc1.
What is the InChIKey of 3,4-dichloro-2-(4-methylanilino)-2H-furan-5-one?
The InChIKey is VZIODGXBLRNRHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2NO2/c1-6-2-4-7(5-3-6)14-10-8(12)9(13)11(15)16-10/h2-5,10,14H,1H3.
What are the key properties of 3,4-dichloro-2-(4-methylanilino)-2H-furan-5-one?
3,4-dichloro-2-(4-methylanilino)-2H-furan-5-one has a molecular weight of 258.10 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-2-(4-methylanilino)-2H-furan-5-one is sourced from PubChem (CID 117060367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).