ethyl 2-(3-chlorophenyl)-2-[[2-(2,4-dichlorophenyl)acetyl]-methylamino]acetate

C19H18Cl3NO3 — CID 18964275

IUPACethyl 2-(3-chlorophenyl)-2-[[2-(2,4-dichlorophenyl)acetyl]-methylamino]acetate
SMILESCCOC(=O)C(c1cccc(Cl)c1)N(C)C(=O)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C19H18Cl3NO3/c1-3-26-19(25)18(13-5-4-6-14(20)9-13)23(2)17(24)10-12-7-8-15(21)11-16(12)22/h4-9,11,18H,3,10H2,1-2H3
InChIKeyZGVAAPBOLFDRPN-UHFFFAOYSA-N
MW414.72 g/mol
LogP4.95
Rot. Bonds6

About ethyl 2-(3-chlorophenyl)-2-[[2-(2,4-dichlorophenyl)acetyl]-methylamino]acetate

ethyl 2-(3-chlorophenyl)-2-[[2-(2,4-dichlorophenyl)acetyl]-methylamino]acetate (PubChem CID 18964275) has the molecular formula C19H18Cl3NO3 and a molecular weight of 414.72 g/mol. Its IUPAC name is ethyl 2-(3-chlorophenyl)-2-[[2-(2,4-dichlorophenyl)acetyl]-methylamino]acetate.

Molecular Properties

Compound Nameethyl 2-(3-chlorophenyl)-2-[[2-(2,4-dichlorophenyl)acetyl]-methylamino]acetate
PubChem CID18964275
Molecular FormulaC19H18Cl3NO3
Molecular Weight414.72 g/mol
Exact Mass413.04
IUPAC Nameethyl 2-(3-chlorophenyl)-2-[[2-(2,4-dichlorophenyl)acetyl]-methylamino]acetate
SMILESCCOC(=O)C(c1cccc(Cl)c1)N(C)C(=O)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C19H18Cl3NO3/c1-3-26-19(25)18(13-5-4-6-14(20)9-13)23(2)17(24)10-12-7-8-15(21)11-16(12)22/h4-9,11,18H,3,10H2,1-2H3
InChIKeyZGVAAPBOLFDRPN-UHFFFAOYSA-N
XLogP4.95
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.72
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-chlorophenyl)-2-[[2-(2,4-dichlorophenyl)acetyl]-methylamino]acetate?
The IUPAC name of ethyl 2-(3-chlorophenyl)-2-[[2-(2,4-dichlorophenyl)acetyl]-methylamino]acetate (CID 18964275) is ethyl 2-(3-chlorophenyl)-2-[[2-(2,4-dichlorophenyl)acetyl]-methylamino]acetate.
What is the SMILES notation for ethyl 2-(3-chlorophenyl)-2-[[2-(2,4-dichlorophenyl)acetyl]-methylamino]acetate?
The canonical SMILES for ethyl 2-(3-chlorophenyl)-2-[[2-(2,4-dichlorophenyl)acetyl]-methylamino]acetate is CCOC(=O)C(c1cccc(Cl)c1)N(C)C(=O)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of ethyl 2-(3-chlorophenyl)-2-[[2-(2,4-dichlorophenyl)acetyl]-methylamino]acetate?
The InChIKey is ZGVAAPBOLFDRPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl3NO3/c1-3-26-19(25)18(13-5-4-6-14(20)9-13)23(2)17(24)10-12-7-8-15(21)11-16(12)22/h4-9,11,18H,3,10H2,1-2H3.
What are the key properties of ethyl 2-(3-chlorophenyl)-2-[[2-(2,4-dichlorophenyl)acetyl]-methylamino]acetate?
ethyl 2-(3-chlorophenyl)-2-[[2-(2,4-dichlorophenyl)acetyl]-methylamino]acetate has a molecular weight of 414.72 g/mol, XLogP of 4.95, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-chlorophenyl)-2-[[2-(2,4-dichlorophenyl)acetyl]-methylamino]acetate is sourced from PubChem (CID 18964275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).