[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 3,3-diphenylpropanoate

C24H22ClNO3 — CID 2428350

IUPAC[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 3,3-diphenylpropanoate
SMILESO=C(COC(=O)CC(c1ccccc1)c1ccccc1)NCc1ccc(Cl)cc1
InChIInChI=1S/C24H22ClNO3/c25-21-13-11-18(12-14-21)16-26-23(27)17-29-24(28)15-22(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-14,22H,15-17H2,(H,26,27)
InChIKeyKTMNXELORYZTQF-UHFFFAOYSA-N
MW407.90 g/mol
LogP4.72
Rot. Bonds8

About [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 3,3-diphenylpropanoate

[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 3,3-diphenylpropanoate (PubChem CID 2428350) has the molecular formula C24H22ClNO3 and a molecular weight of 407.90 g/mol. Its IUPAC name is [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 3,3-diphenylpropanoate.

Molecular Properties

Compound Name[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 3,3-diphenylpropanoate
PubChem CID2428350
Molecular FormulaC24H22ClNO3
Molecular Weight407.90 g/mol
Exact Mass407.13
IUPAC Name[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 3,3-diphenylpropanoate
SMILESO=C(COC(=O)CC(c1ccccc1)c1ccccc1)NCc1ccc(Cl)cc1
InChIInChI=1S/C24H22ClNO3/c25-21-13-11-18(12-14-21)16-26-23(27)17-29-24(28)15-22(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-14,22H,15-17H2,(H,26,27)
InChIKeyKTMNXELORYZTQF-UHFFFAOYSA-N
XLogP4.72
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.90
LogP ≤ 54.72
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] 3,3-diphenylpropanoate?
The IUPAC name of [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 3,3-diphenylpropanoate (CID 2428350) is [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 3,3-diphenylpropanoate.
What is the SMILES notation for [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 3,3-diphenylpropanoate?
The canonical SMILES for [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 3,3-diphenylpropanoate is O=C(COC(=O)CC(c1ccccc1)c1ccccc1)NCc1ccc(Cl)cc1.
What is the InChIKey of [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 3,3-diphenylpropanoate?
The InChIKey is KTMNXELORYZTQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClNO3/c25-21-13-11-18(12-14-21)16-26-23(27)17-29-24(28)15-22(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-14,22H,15-17H2,(H,26,27).
What are the key properties of [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 3,3-diphenylpropanoate?
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 3,3-diphenylpropanoate has a molecular weight of 407.90 g/mol, XLogP of 4.72, 8 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] 3,3-diphenylpropanoate is sourced from PubChem (CID 2428350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).