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

C11H12ClNO3 — CID 2545446

IUPAC[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] acetate
SMILESCC(=O)OCC(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C11H12ClNO3/c1-8(14)16-7-11(15)13-6-9-2-4-10(12)5-3-9/h2-5H,6-7H2,1H3,(H,13,15)
InChIKeyPTCGDCQQZHSQDA-UHFFFAOYSA-N
MW241.67 g/mol
LogP1.52
Rot. Bonds4

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

[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] acetate (PubChem CID 2545446) has the molecular formula C11H12ClNO3 and a molecular weight of 241.67 g/mol. Its IUPAC name is [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] acetate.

Molecular Properties

Compound Name[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] acetate
PubChem CID2545446
Molecular FormulaC11H12ClNO3
Molecular Weight241.67 g/mol
Exact Mass241.05
IUPAC Name[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] acetate
SMILESCC(=O)OCC(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C11H12ClNO3/c1-8(14)16-7-11(15)13-6-9-2-4-10(12)5-3-9/h2-5H,6-7H2,1H3,(H,13,15)
InChIKeyPTCGDCQQZHSQDA-UHFFFAOYSA-N
XLogP1.52
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.67
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] acetate?
The IUPAC name of [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] acetate (CID 2545446) is [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] acetate.
What is the SMILES notation for [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] acetate?
The canonical SMILES for [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] acetate is CC(=O)OCC(=O)NCc1ccc(Cl)cc1.
What is the InChIKey of [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] acetate?
The InChIKey is PTCGDCQQZHSQDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO3/c1-8(14)16-7-11(15)13-6-9-2-4-10(12)5-3-9/h2-5H,6-7H2,1H3,(H,13,15).
What are the key properties of [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] acetate?
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] acetate has a molecular weight of 241.67 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] acetate is sourced from PubChem (CID 2545446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).