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

C24H22ClNO3 — CID 21236014

IUPAC[2-(4-chlorophenyl)-2-oxoethyl] 2-(dibenzylamino)acetate
SMILESO=C(CN(Cc1ccccc1)Cc1ccccc1)OCC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C24H22ClNO3/c25-22-13-11-21(12-14-22)23(27)18-29-24(28)17-26(15-19-7-3-1-4-8-19)16-20-9-5-2-6-10-20/h1-14H,15-18H2
InChIKeyMBEYWFYGIMRJMU-UHFFFAOYSA-N
MW407.90 g/mol
LogP4.77
Rot. Bonds9

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

[2-(4-chlorophenyl)-2-oxoethyl] 2-(dibenzylamino)acetate (PubChem CID 21236014) has the molecular formula C24H22ClNO3 and a molecular weight of 407.90 g/mol. Its IUPAC name is [2-(4-chlorophenyl)-2-oxoethyl] 2-(dibenzylamino)acetate.

Molecular Properties

Compound Name[2-(4-chlorophenyl)-2-oxoethyl] 2-(dibenzylamino)acetate
PubChem CID21236014
Molecular FormulaC24H22ClNO3
Molecular Weight407.90 g/mol
Exact Mass407.13
IUPAC Name[2-(4-chlorophenyl)-2-oxoethyl] 2-(dibenzylamino)acetate
SMILESO=C(CN(Cc1ccccc1)Cc1ccccc1)OCC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C24H22ClNO3/c25-22-13-11-21(12-14-22)23(27)18-29-24(28)17-26(15-19-7-3-1-4-8-19)16-20-9-5-2-6-10-20/h1-14H,15-18H2
InChIKeyMBEYWFYGIMRJMU-UHFFFAOYSA-N
XLogP4.77
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.90
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenyl)-2-(2-phenylethoxy)ethanone
CID 43800825
ethyl 2-[benzyl-(2-ethoxy-2-oxoethyl)amino]acetate
CID 5235503
[2-(4-chlorophenyl)-2-oxoethyl] 2-(2-fluorophenyl)acetate
CID 23904314
[2-(4-chlorophenyl)-2-oxoethyl] 2-(4-benzoylphenoxy)acetate
CID 8925584
bis[2-(4-chlorophenyl)-2-oxoethyl] dodecanedioate
CID 3270757
2-[benzyl(phenacyl)amino]-1-phenylethanone;hydrobromide
CID 14149400
[2-(4-chlorophenyl)-2-oxoethyl] 2-chlorobenzoate
CID 587174
N,N-dibenzyl-4-[2-(4-chlorophenoxy)acetyl]benzenesulfonamide
CID 18669510
[2-(4-chlorophenyl)-2-oxoethyl] 3-benzamidobutanoate
CID 46819830
[2-oxo-2-(4-phenylphenyl)ethyl] 3-(4-chlorophenyl)sulfanylpropanoate
CID 7841014
[2-(4-chlorophenyl)-2-oxoethyl] 3-[(2-phenylacetyl)amino]benzoate
CID 1279664
phenacyl (2S)-2-[(4-chlorobenzoyl)amino]-3-phenylpropanoate
CID 40796590

Frequently Asked Questions

What is the IUPAC name of [2-(4-chlorophenyl)-2-oxoethyl] 2-(dibenzylamino)acetate?
The IUPAC name of [2-(4-chlorophenyl)-2-oxoethyl] 2-(dibenzylamino)acetate (CID 21236014) is [2-(4-chlorophenyl)-2-oxoethyl] 2-(dibenzylamino)acetate.
What is the SMILES notation for [2-(4-chlorophenyl)-2-oxoethyl] 2-(dibenzylamino)acetate?
The canonical SMILES for [2-(4-chlorophenyl)-2-oxoethyl] 2-(dibenzylamino)acetate is O=C(CN(Cc1ccccc1)Cc1ccccc1)OCC(=O)c1ccc(Cl)cc1.
What is the InChIKey of [2-(4-chlorophenyl)-2-oxoethyl] 2-(dibenzylamino)acetate?
The InChIKey is MBEYWFYGIMRJMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClNO3/c25-22-13-11-21(12-14-22)23(27)18-29-24(28)17-26(15-19-7-3-1-4-8-19)16-20-9-5-2-6-10-20/h1-14H,15-18H2.
What are the key properties of [2-(4-chlorophenyl)-2-oxoethyl] 2-(dibenzylamino)acetate?
[2-(4-chlorophenyl)-2-oxoethyl] 2-(dibenzylamino)acetate has a molecular weight of 407.90 g/mol, XLogP of 4.77, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chlorophenyl)-2-oxoethyl] 2-(dibenzylamino)acetate is sourced from PubChem (CID 21236014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).