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

C16H16ClNO6 — CID 118262108

IUPAC[5-(4-chlorophenyl)-2-(ethoxycarbonylamino)-5-methyl-4-oxofuran-3-yl] acetate
SMILESCCOC(=O)NC1=C(OC(C)=O)C(=O)C(C)(c2ccc(Cl)cc2)O1
InChIInChI=1S/C16H16ClNO6/c1-4-22-15(21)18-14-12(23-9(2)19)13(20)16(3,24-14)10-5-7-11(17)8-6-10/h5-8H,4H2,1-3H3,(H,18,21)
InChIKeySLHKQGBDPGTOSB-UHFFFAOYSA-N
MW353.76 g/mol
LogP2.63
Rot. Bonds4

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

[5-(4-chlorophenyl)-2-(ethoxycarbonylamino)-5-methyl-4-oxofuran-3-yl] acetate (PubChem CID 118262108) has the molecular formula C16H16ClNO6 and a molecular weight of 353.76 g/mol. Its IUPAC name is [5-(4-chlorophenyl)-2-(ethoxycarbonylamino)-5-methyl-4-oxofuran-3-yl] acetate.

Molecular Properties

Compound Name[5-(4-chlorophenyl)-2-(ethoxycarbonylamino)-5-methyl-4-oxofuran-3-yl] acetate
PubChem CID118262108
Molecular FormulaC16H16ClNO6
Molecular Weight353.76 g/mol
Exact Mass353.07
IUPAC Name[5-(4-chlorophenyl)-2-(ethoxycarbonylamino)-5-methyl-4-oxofuran-3-yl] acetate
SMILESCCOC(=O)NC1=C(OC(C)=O)C(=O)C(C)(c2ccc(Cl)cc2)O1
InChIInChI=1S/C16H16ClNO6/c1-4-22-15(21)18-14-12(23-9(2)19)13(20)16(3,24-14)10-5-7-11(17)8-6-10/h5-8H,4H2,1-3H3,(H,18,21)
InChIKeySLHKQGBDPGTOSB-UHFFFAOYSA-N
XLogP2.63
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.76
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

CID 44384096
CID 44384096
CID 90080312
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CID 90080619
CID 90080619
CID 90080704
CID 90080704
CID 90080728
CID 90080728
CID 90080846
CID 90080846
CID 90080890
CID 90080890
CID 90080977
CID 90080977
CID 90081009
CID 90081009
CID 90081142
CID 90081142
CID 90081240
CID 90081240
CID 90081333
CID 90081333

Frequently Asked Questions

What is the IUPAC name of [5-(4-chlorophenyl)-2-(ethoxycarbonylamino)-5-methyl-4-oxofuran-3-yl] acetate?
The IUPAC name of [5-(4-chlorophenyl)-2-(ethoxycarbonylamino)-5-methyl-4-oxofuran-3-yl] acetate (CID 118262108) is [5-(4-chlorophenyl)-2-(ethoxycarbonylamino)-5-methyl-4-oxofuran-3-yl] acetate.
What is the SMILES notation for [5-(4-chlorophenyl)-2-(ethoxycarbonylamino)-5-methyl-4-oxofuran-3-yl] acetate?
The canonical SMILES for [5-(4-chlorophenyl)-2-(ethoxycarbonylamino)-5-methyl-4-oxofuran-3-yl] acetate is CCOC(=O)NC1=C(OC(C)=O)C(=O)C(C)(c2ccc(Cl)cc2)O1.
What is the InChIKey of [5-(4-chlorophenyl)-2-(ethoxycarbonylamino)-5-methyl-4-oxofuran-3-yl] acetate?
The InChIKey is SLHKQGBDPGTOSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO6/c1-4-22-15(21)18-14-12(23-9(2)19)13(20)16(3,24-14)10-5-7-11(17)8-6-10/h5-8H,4H2,1-3H3,(H,18,21).
What are the key properties of [5-(4-chlorophenyl)-2-(ethoxycarbonylamino)-5-methyl-4-oxofuran-3-yl] acetate?
[5-(4-chlorophenyl)-2-(ethoxycarbonylamino)-5-methyl-4-oxofuran-3-yl] acetate has a molecular weight of 353.76 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-chlorophenyl)-2-(ethoxycarbonylamino)-5-methyl-4-oxofuran-3-yl] acetate is sourced from PubChem (CID 118262108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).