[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate

C18H18ClNO4 — CID 2539687

IUPAC[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)OCC(=O)NCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H18ClNO4/c1-23-16-8-4-13(5-9-16)10-18(22)24-12-17(21)20-11-14-2-6-15(19)7-3-14/h2-9H,10-12H2,1H3,(H,20,21)
InChIKeyJGDAGBHQCPSKTC-UHFFFAOYSA-N
MW347.80 g/mol
LogP2.75
Rot. Bonds7

About [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate

[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate (PubChem CID 2539687) has the molecular formula C18H18ClNO4 and a molecular weight of 347.80 g/mol. Its IUPAC name is [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate.

Molecular Properties

Compound Name[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate
PubChem CID2539687
Molecular FormulaC18H18ClNO4
Molecular Weight347.80 g/mol
Exact Mass347.09
IUPAC Name[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)OCC(=O)NCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H18ClNO4/c1-23-16-8-4-13(5-9-16)10-18(22)24-12-17(21)20-11-14-2-6-15(19)7-3-14/h2-9H,10-12H2,1H3,(H,20,21)
InChIKeyJGDAGBHQCPSKTC-UHFFFAOYSA-N
XLogP2.75
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.80
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate?
The IUPAC name of [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate (CID 2539687) is [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate.
What is the SMILES notation for [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate?
The canonical SMILES for [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate is COc1ccc(CC(=O)OCC(=O)NCc2ccc(Cl)cc2)cc1.
What is the InChIKey of [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate?
The InChIKey is JGDAGBHQCPSKTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO4/c1-23-16-8-4-13(5-9-16)10-18(22)24-12-17(21)20-11-14-2-6-15(19)7-3-14/h2-9H,10-12H2,1H3,(H,20,21).
What are the key properties of [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate?
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate has a molecular weight of 347.80 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate is sourced from PubChem (CID 2539687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).