ethyl N-[2-(4-chlorophenyl)-4-hydroxy-5-methyl-3-oxofuran-2-yl]carbamate

C14H14ClNO5 — CID 140681898

IUPACethyl N-[2-(4-chlorophenyl)-4-hydroxy-5-methyl-3-oxofuran-2-yl]carbamate
SMILESCCOC(=O)NC1(c2ccc(Cl)cc2)OC(C)=C(O)C1=O
InChIInChI=1S/C14H14ClNO5/c1-3-20-13(19)16-14(9-4-6-10(15)7-5-9)12(18)11(17)8(2)21-14/h4-7,17H,3H2,1-2H3,(H,16,19)
InChIKeyBOLVPFDQMPMJGS-UHFFFAOYSA-N
MW311.72 g/mol
LogP2.63
Rot. Bonds3

About ethyl N-[2-(4-chlorophenyl)-4-hydroxy-5-methyl-3-oxofuran-2-yl]carbamate

ethyl N-[2-(4-chlorophenyl)-4-hydroxy-5-methyl-3-oxofuran-2-yl]carbamate (PubChem CID 140681898) has the molecular formula C14H14ClNO5 and a molecular weight of 311.72 g/mol. Its IUPAC name is ethyl N-[2-(4-chlorophenyl)-4-hydroxy-5-methyl-3-oxofuran-2-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-(4-chlorophenyl)-4-hydroxy-5-methyl-3-oxofuran-2-yl]carbamate
PubChem CID140681898
Molecular FormulaC14H14ClNO5
Molecular Weight311.72 g/mol
Exact Mass311.06
IUPAC Nameethyl N-[2-(4-chlorophenyl)-4-hydroxy-5-methyl-3-oxofuran-2-yl]carbamate
SMILESCCOC(=O)NC1(c2ccc(Cl)cc2)OC(C)=C(O)C1=O
InChIInChI=1S/C14H14ClNO5/c1-3-20-13(19)16-14(9-4-6-10(15)7-5-9)12(18)11(17)8(2)21-14/h4-7,17H,3H2,1-2H3,(H,16,19)
InChIKeyBOLVPFDQMPMJGS-UHFFFAOYSA-N
XLogP2.63
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.72
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl N-[5-(4-chlorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]carbamate
CID 118262100
[5-Acetamido-5-(4-chlorophenyl)-2-methyl-4-oxofuran-3-yl] acetate
CID 140681885
N-[2-(4-chlorophenyl)-4-hydroxy-5-methyl-3-oxofuran-2-yl]benzamide
CID 140681886
[5-(4-Chlorophenyl)-5-(ethoxycarbonylamino)-2-methyl-4-oxofuran-3-yl] acetate
CID 140681888
[5-(4-Chlorophenyl)-5-(methanesulfonamido)-2-methyl-4-oxofuran-3-yl] acetate
CID 140681889
N-[2-(4-chlorophenyl)-4-hydroxy-5-methyl-3-oxofuran-2-yl]acetamide
CID 140681891
1-[2-(4-Chlorophenyl)-4-hydroxy-5-methyl-3-oxofuran-2-yl]pyrrolidin-2-one
CID 140681893
[5-(4-Chlorophenyl)-5-(2,5-dioxopyrrolidin-1-yl)-2-methyl-4-oxofuran-3-yl] acetate
CID 140681897
[5-Benzamido-5-(4-chlorophenyl)-2-methyl-4-oxofuran-3-yl] acetate
CID 140681899
1-[2-(4-Chlorophenyl)-4-hydroxy-5-methyl-3-oxofuran-2-yl]pyrrolidine-2,5-dione
CID 140681900
N-[2-(4-chlorophenyl)-4-hydroxy-5-methyl-3-oxofuran-2-yl]methanesulfonamide
CID 140681901
[5-(4-Bromobutanoylamino)-5-(4-chlorophenyl)-2-methyl-4-oxofuran-3-yl] acetate
CID 140681902

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-(4-chlorophenyl)-4-hydroxy-5-methyl-3-oxofuran-2-yl]carbamate?
The IUPAC name of ethyl N-[2-(4-chlorophenyl)-4-hydroxy-5-methyl-3-oxofuran-2-yl]carbamate (CID 140681898) is ethyl N-[2-(4-chlorophenyl)-4-hydroxy-5-methyl-3-oxofuran-2-yl]carbamate.
What is the SMILES notation for ethyl N-[2-(4-chlorophenyl)-4-hydroxy-5-methyl-3-oxofuran-2-yl]carbamate?
The canonical SMILES for ethyl N-[2-(4-chlorophenyl)-4-hydroxy-5-methyl-3-oxofuran-2-yl]carbamate is CCOC(=O)NC1(c2ccc(Cl)cc2)OC(C)=C(O)C1=O.
What is the InChIKey of ethyl N-[2-(4-chlorophenyl)-4-hydroxy-5-methyl-3-oxofuran-2-yl]carbamate?
The InChIKey is BOLVPFDQMPMJGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO5/c1-3-20-13(19)16-14(9-4-6-10(15)7-5-9)12(18)11(17)8(2)21-14/h4-7,17H,3H2,1-2H3,(H,16,19).
What are the key properties of ethyl N-[2-(4-chlorophenyl)-4-hydroxy-5-methyl-3-oxofuran-2-yl]carbamate?
ethyl N-[2-(4-chlorophenyl)-4-hydroxy-5-methyl-3-oxofuran-2-yl]carbamate has a molecular weight of 311.72 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-(4-chlorophenyl)-4-hydroxy-5-methyl-3-oxofuran-2-yl]carbamate is sourced from PubChem (CID 140681898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).