ethyl 2-[[2-(2,4-dichlorophenyl)acetyl]-methylamino]-2-phenylacetate

C19H19Cl2NO3 — CID 18964288

IUPACethyl 2-[[2-(2,4-dichlorophenyl)acetyl]-methylamino]-2-phenylacetate
SMILESCCOC(=O)C(c1ccccc1)N(C)C(=O)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C19H19Cl2NO3/c1-3-25-19(24)18(13-7-5-4-6-8-13)22(2)17(23)11-14-9-10-15(20)12-16(14)21/h4-10,12,18H,3,11H2,1-2H3
InChIKeyNNZRRWNNZRBZBY-UHFFFAOYSA-N
MW380.27 g/mol
LogP4.30
Rot. Bonds6

About ethyl 2-[[2-(2,4-dichlorophenyl)acetyl]-methylamino]-2-phenylacetate

ethyl 2-[[2-(2,4-dichlorophenyl)acetyl]-methylamino]-2-phenylacetate (PubChem CID 18964288) has the molecular formula C19H19Cl2NO3 and a molecular weight of 380.27 g/mol. Its IUPAC name is ethyl 2-[[2-(2,4-dichlorophenyl)acetyl]-methylamino]-2-phenylacetate.

Molecular Properties

Compound Nameethyl 2-[[2-(2,4-dichlorophenyl)acetyl]-methylamino]-2-phenylacetate
PubChem CID18964288
Molecular FormulaC19H19Cl2NO3
Molecular Weight380.27 g/mol
Exact Mass379.07
IUPAC Nameethyl 2-[[2-(2,4-dichlorophenyl)acetyl]-methylamino]-2-phenylacetate
SMILESCCOC(=O)C(c1ccccc1)N(C)C(=O)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C19H19Cl2NO3/c1-3-25-19(24)18(13-7-5-4-6-8-13)22(2)17(23)11-14-9-10-15(20)12-16(14)21/h4-10,12,18H,3,11H2,1-2H3
InChIKeyNNZRRWNNZRBZBY-UHFFFAOYSA-N
XLogP4.30
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.27
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(2,4-dichlorophenyl)acetyl]-methylamino]-2-phenylacetate?
The IUPAC name of ethyl 2-[[2-(2,4-dichlorophenyl)acetyl]-methylamino]-2-phenylacetate (CID 18964288) is ethyl 2-[[2-(2,4-dichlorophenyl)acetyl]-methylamino]-2-phenylacetate.
What is the SMILES notation for ethyl 2-[[2-(2,4-dichlorophenyl)acetyl]-methylamino]-2-phenylacetate?
The canonical SMILES for ethyl 2-[[2-(2,4-dichlorophenyl)acetyl]-methylamino]-2-phenylacetate is CCOC(=O)C(c1ccccc1)N(C)C(=O)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of ethyl 2-[[2-(2,4-dichlorophenyl)acetyl]-methylamino]-2-phenylacetate?
The InChIKey is NNZRRWNNZRBZBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2NO3/c1-3-25-19(24)18(13-7-5-4-6-8-13)22(2)17(23)11-14-9-10-15(20)12-16(14)21/h4-10,12,18H,3,11H2,1-2H3.
What are the key properties of ethyl 2-[[2-(2,4-dichlorophenyl)acetyl]-methylamino]-2-phenylacetate?
ethyl 2-[[2-(2,4-dichlorophenyl)acetyl]-methylamino]-2-phenylacetate has a molecular weight of 380.27 g/mol, XLogP of 4.30, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(2,4-dichlorophenyl)acetyl]-methylamino]-2-phenylacetate is sourced from PubChem (CID 18964288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).