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

C14H14ClNO5 — CID 118262100

IUPACethyl N-[5-(4-chlorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]carbamate
SMILESCCOC(=O)NC1=C(O)C(=O)C(C)(c2ccc(Cl)cc2)O1
InChIInChI=1S/C14H14ClNO5/c1-3-20-13(19)16-12-10(17)11(18)14(2,21-12)8-4-6-9(15)7-5-8/h4-7,17H,3H2,1-2H3,(H,16,19)
InChIKeyMWAOFZYLTCYMEF-UHFFFAOYSA-N
MW311.72 g/mol
LogP2.63
Rot. Bonds3

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

ethyl N-[5-(4-chlorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]carbamate (PubChem CID 118262100) has the molecular formula C14H14ClNO5 and a molecular weight of 311.72 g/mol. Its IUPAC name is ethyl N-[5-(4-chlorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[5-(4-chlorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]carbamate
PubChem CID118262100
Molecular FormulaC14H14ClNO5
Molecular Weight311.72 g/mol
Exact Mass311.06
IUPAC Nameethyl N-[5-(4-chlorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]carbamate
SMILESCCOC(=O)NC1=C(O)C(=O)C(C)(c2ccc(Cl)cc2)O1
InChIInChI=1S/C14H14ClNO5/c1-3-20-13(19)16-12-10(17)11(18)14(2,21-12)8-4-6-9(15)7-5-8/h4-7,17H,3H2,1-2H3,(H,16,19)
InChIKeyMWAOFZYLTCYMEF-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

2-(4-Chloro-phenyl)-5-imino-2,5-dihydro-furan-3,4-diol
CID 44384096
[2-Amino-5-(2-chloro-5-fluorophenyl)-4-oxofuran-3-yl] acetate
CID 90080312
[2-Amino-5-(4-chloro-3-fluorophenyl)-4-oxofuran-3-yl] acetate
CID 90080619
[2-Amino-5-(5-chloro-2-fluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate
CID 90080704
[2-Amino-5-(5-chloro-2-fluorophenyl)-4-oxofuran-3-yl] acetate
CID 90080728
[2-Amino-5-(4-chloro-2-fluorophenyl)-4-oxofuran-3-yl] acetate
CID 90080846
[2-Amino-5-(2-chloro-5-fluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate
CID 90080890
[2-Amino-5-(2-chloro-6-fluorophenyl)-4-oxofuran-3-yl] acetate
CID 90080977
[2-Amino-5-(4-chloro-3-fluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate
CID 90081009
5-Amino-2-(2-chloro-6-fluorophenyl)-4-hydroxyfuran-3-one
CID 90081106
[2-Amino-5-(2-chloro-6-fluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate
CID 90081142
[2-Amino-5-(3-chloro-2-fluorophenyl)-4-oxofuran-3-yl] acetate
CID 90081240

Frequently Asked Questions

What is the IUPAC name of ethyl N-[5-(4-chlorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]carbamate?
The IUPAC name of ethyl N-[5-(4-chlorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]carbamate (CID 118262100) is ethyl N-[5-(4-chlorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]carbamate.
What is the SMILES notation for ethyl N-[5-(4-chlorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]carbamate?
The canonical SMILES for ethyl N-[5-(4-chlorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]carbamate is CCOC(=O)NC1=C(O)C(=O)C(C)(c2ccc(Cl)cc2)O1.
What is the InChIKey of ethyl N-[5-(4-chlorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]carbamate?
The InChIKey is MWAOFZYLTCYMEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO5/c1-3-20-13(19)16-12-10(17)11(18)14(2,21-12)8-4-6-9(15)7-5-8/h4-7,17H,3H2,1-2H3,(H,16,19).
What are the key properties of ethyl N-[5-(4-chlorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]carbamate?
ethyl N-[5-(4-chlorophenyl)-3-hydroxy-5-methyl-4-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-[5-(4-chlorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]carbamate is sourced from PubChem (CID 118262100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).