ethyl 2-[4-[(3-chloro-2-methylphenyl)carbamoyl]phenoxy]acetate

C18H18ClNO4 — CID 733362

IUPACethyl 2-[4-[(3-chloro-2-methylphenyl)carbamoyl]phenoxy]acetate
SMILESCCOC(=O)COc1ccc(C(=O)Nc2cccc(Cl)c2C)cc1
InChIInChI=1S/C18H18ClNO4/c1-3-23-17(21)11-24-14-9-7-13(8-10-14)18(22)20-16-6-4-5-15(19)12(16)2/h4-10H,3,11H2,1-2H3,(H,20,22)
InChIKeyOJSVAUDZYGFRDI-UHFFFAOYSA-N
MW347.80 g/mol
LogP3.84
Rot. Bonds6

About ethyl 2-[4-[(3-chloro-2-methylphenyl)carbamoyl]phenoxy]acetate

ethyl 2-[4-[(3-chloro-2-methylphenyl)carbamoyl]phenoxy]acetate (PubChem CID 733362) has the molecular formula C18H18ClNO4 and a molecular weight of 347.80 g/mol. Its IUPAC name is ethyl 2-[4-[(3-chloro-2-methylphenyl)carbamoyl]phenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[4-[(3-chloro-2-methylphenyl)carbamoyl]phenoxy]acetate
PubChem CID733362
Molecular FormulaC18H18ClNO4
Molecular Weight347.80 g/mol
Exact Mass347.09
IUPAC Nameethyl 2-[4-[(3-chloro-2-methylphenyl)carbamoyl]phenoxy]acetate
SMILESCCOC(=O)COc1ccc(C(=O)Nc2cccc(Cl)c2C)cc1
InChIInChI=1S/C18H18ClNO4/c1-3-23-17(21)11-24-14-9-7-13(8-10-14)18(22)20-16-6-4-5-15(19)12(16)2/h4-10H,3,11H2,1-2H3,(H,20,22)
InChIKeyOJSVAUDZYGFRDI-UHFFFAOYSA-N
XLogP3.84
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.80
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[(3-chloro-2-methylphenyl)carbamoyl]phenoxy]acetate?
The IUPAC name of ethyl 2-[4-[(3-chloro-2-methylphenyl)carbamoyl]phenoxy]acetate (CID 733362) is ethyl 2-[4-[(3-chloro-2-methylphenyl)carbamoyl]phenoxy]acetate.
What is the SMILES notation for ethyl 2-[4-[(3-chloro-2-methylphenyl)carbamoyl]phenoxy]acetate?
The canonical SMILES for ethyl 2-[4-[(3-chloro-2-methylphenyl)carbamoyl]phenoxy]acetate is CCOC(=O)COc1ccc(C(=O)Nc2cccc(Cl)c2C)cc1.
What is the InChIKey of ethyl 2-[4-[(3-chloro-2-methylphenyl)carbamoyl]phenoxy]acetate?
The InChIKey is OJSVAUDZYGFRDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO4/c1-3-23-17(21)11-24-14-9-7-13(8-10-14)18(22)20-16-6-4-5-15(19)12(16)2/h4-10H,3,11H2,1-2H3,(H,20,22).
What are the key properties of ethyl 2-[4-[(3-chloro-2-methylphenyl)carbamoyl]phenoxy]acetate?
ethyl 2-[4-[(3-chloro-2-methylphenyl)carbamoyl]phenoxy]acetate has a molecular weight of 347.80 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[(3-chloro-2-methylphenyl)carbamoyl]phenoxy]acetate is sourced from PubChem (CID 733362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).