[5-(2,3-dichlorophenyl)-2-(ethoxycarbonylamino)-5-methyl-4-oxofuran-3-yl] acetate

C16H15Cl2NO6 — CID 140833569

IUPAC[5-(2,3-dichlorophenyl)-2-(ethoxycarbonylamino)-5-methyl-4-oxofuran-3-yl] acetate
SMILESCCOC(=O)NC1=C(OC(C)=O)C(=O)C(C)(c2cccc(Cl)c2Cl)O1
InChIInChI=1S/C16H15Cl2NO6/c1-4-23-15(22)19-14-12(24-8(2)20)13(21)16(3,25-14)9-6-5-7-10(17)11(9)18/h5-7H,4H2,1-3H3,(H,19,22)
InChIKeyXLECSJDAISWOTN-UHFFFAOYSA-N
MW388.20 g/mol
LogP3.29
Rot. Bonds4

About [5-(2,3-dichlorophenyl)-2-(ethoxycarbonylamino)-5-methyl-4-oxofuran-3-yl] acetate

[5-(2,3-dichlorophenyl)-2-(ethoxycarbonylamino)-5-methyl-4-oxofuran-3-yl] acetate (PubChem CID 140833569) has the molecular formula C16H15Cl2NO6 and a molecular weight of 388.20 g/mol. Its IUPAC name is [5-(2,3-dichlorophenyl)-2-(ethoxycarbonylamino)-5-methyl-4-oxofuran-3-yl] acetate.

Molecular Properties

Compound Name[5-(2,3-dichlorophenyl)-2-(ethoxycarbonylamino)-5-methyl-4-oxofuran-3-yl] acetate
PubChem CID140833569
Molecular FormulaC16H15Cl2NO6
Molecular Weight388.20 g/mol
Exact Mass387.03
IUPAC Name[5-(2,3-dichlorophenyl)-2-(ethoxycarbonylamino)-5-methyl-4-oxofuran-3-yl] acetate
SMILESCCOC(=O)NC1=C(OC(C)=O)C(=O)C(C)(c2cccc(Cl)c2Cl)O1
InChIInChI=1S/C16H15Cl2NO6/c1-4-23-15(22)19-14-12(24-8(2)20)13(21)16(3,25-14)9-6-5-7-10(17)11(9)18/h5-7H,4H2,1-3H3,(H,19,22)
InChIKeyXLECSJDAISWOTN-UHFFFAOYSA-N
XLogP3.29
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.20
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[5-(4-chloro-2-fluorophenyl)-2-(ethoxycarbonylamino)-5-methyl-4-oxofuran-3-yl] acetate
CID 140834145
[5-(4-chloro-3-fluorophenyl)-2-(ethoxycarbonylamino)-5-methyl-4-oxofuran-3-yl] acetate
CID 140834404
[5-(2,5-dimethoxyphenyl)-2-(ethoxycarbonylamino)-5-methyl-4-oxofuran-3-yl] acetate
CID 140834386
[3-acetyloxy-5-(2-chloro-6-fluorophenyl)-5-methyl-4-oxofuran-2-yl]carbamic acid
CID 151717686
[5-(2,3-dichlorophenyl)-2-[ethylsulfonyl(methyl)amino]-5-methyl-4-oxofuran-3-yl] acetate
CID 174753573
[2-(ethoxycarbonylamino)-5-methyl-4-oxo-5-quinolin-3-ylfuran-3-yl] acetate
CID 140833877
N-[5-(2,3-dichlorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]ethanesulfonamide
CID 140833665
5-amino-2-(2,3-dichlorophenyl)-2-methyl-4-trimethylsilyloxyfuran-3-one
CID 90082115
[5-(2-chloro-4-fluorophenyl)-2-(ethylsulfonylamino)-5-methyl-4-oxofuran-3-yl] acetate
CID 140833701
[5-(2,5-dichlorophenyl)-2-(methanesulfonamido)-5-methyl-4-oxofuran-3-yl] acetate
CID 140833655
[2-benzamido-5-(3-chlorophenyl)-5-methyl-4-oxofuran-3-yl] acetate
CID 140834057
N-[5-(2,6-dichlorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]acetamide
CID 140834203

Frequently Asked Questions

What is the IUPAC name of [5-(2,3-dichlorophenyl)-2-(ethoxycarbonylamino)-5-methyl-4-oxofuran-3-yl] acetate?
The IUPAC name of [5-(2,3-dichlorophenyl)-2-(ethoxycarbonylamino)-5-methyl-4-oxofuran-3-yl] acetate (CID 140833569) is [5-(2,3-dichlorophenyl)-2-(ethoxycarbonylamino)-5-methyl-4-oxofuran-3-yl] acetate.
What is the SMILES notation for [5-(2,3-dichlorophenyl)-2-(ethoxycarbonylamino)-5-methyl-4-oxofuran-3-yl] acetate?
The canonical SMILES for [5-(2,3-dichlorophenyl)-2-(ethoxycarbonylamino)-5-methyl-4-oxofuran-3-yl] acetate is CCOC(=O)NC1=C(OC(C)=O)C(=O)C(C)(c2cccc(Cl)c2Cl)O1.
What is the InChIKey of [5-(2,3-dichlorophenyl)-2-(ethoxycarbonylamino)-5-methyl-4-oxofuran-3-yl] acetate?
The InChIKey is XLECSJDAISWOTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO6/c1-4-23-15(22)19-14-12(24-8(2)20)13(21)16(3,25-14)9-6-5-7-10(17)11(9)18/h5-7H,4H2,1-3H3,(H,19,22).
What are the key properties of [5-(2,3-dichlorophenyl)-2-(ethoxycarbonylamino)-5-methyl-4-oxofuran-3-yl] acetate?
[5-(2,3-dichlorophenyl)-2-(ethoxycarbonylamino)-5-methyl-4-oxofuran-3-yl] acetate has a molecular weight of 388.20 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,3-dichlorophenyl)-2-(ethoxycarbonylamino)-5-methyl-4-oxofuran-3-yl] acetate is sourced from PubChem (CID 140833569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).