[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 4-propan-2-ylbenzoate

C19H20ClNO3 — CID 2437519

IUPAC[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 4-propan-2-ylbenzoate
SMILESCC(C)c1ccc(C(=O)OCC(=O)NCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H20ClNO3/c1-13(2)15-5-7-16(8-6-15)19(23)24-12-18(22)21-11-14-3-9-17(20)10-4-14/h3-10,13H,11-12H2,1-2H3,(H,21,22)
InChIKeyMMOUVEFFSSQCBL-UHFFFAOYSA-N
MW345.83 g/mol
LogP3.94
Rot. Bonds6

About [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 4-propan-2-ylbenzoate

[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 4-propan-2-ylbenzoate (PubChem CID 2437519) has the molecular formula C19H20ClNO3 and a molecular weight of 345.83 g/mol. Its IUPAC name is [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 4-propan-2-ylbenzoate.

Molecular Properties

Compound Name[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 4-propan-2-ylbenzoate
PubChem CID2437519
Molecular FormulaC19H20ClNO3
Molecular Weight345.83 g/mol
Exact Mass345.11
IUPAC Name[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 4-propan-2-ylbenzoate
SMILESCC(C)c1ccc(C(=O)OCC(=O)NCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H20ClNO3/c1-13(2)15-5-7-16(8-6-15)19(23)24-12-18(22)21-11-14-3-9-17(20)10-4-14/h3-10,13H,11-12H2,1-2H3,(H,21,22)
InChIKeyMMOUVEFFSSQCBL-UHFFFAOYSA-N
XLogP3.94
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 53.94
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] 4-propan-2-ylbenzoate?
The IUPAC name of [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 4-propan-2-ylbenzoate (CID 2437519) is [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 4-propan-2-ylbenzoate.
What is the SMILES notation for [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 4-propan-2-ylbenzoate?
The canonical SMILES for [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 4-propan-2-ylbenzoate is CC(C)c1ccc(C(=O)OCC(=O)NCc2ccc(Cl)cc2)cc1.
What is the InChIKey of [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 4-propan-2-ylbenzoate?
The InChIKey is MMOUVEFFSSQCBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO3/c1-13(2)15-5-7-16(8-6-15)19(23)24-12-18(22)21-11-14-3-9-17(20)10-4-14/h3-10,13H,11-12H2,1-2H3,(H,21,22).
What are the key properties of [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 4-propan-2-ylbenzoate?
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 4-propan-2-ylbenzoate has a molecular weight of 345.83 g/mol, XLogP of 3.94, 6 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] 4-propan-2-ylbenzoate is sourced from PubChem (CID 2437519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).