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

C19H18Cl3NO3 — CID 15682139

IUPACethyl 2-(4-chlorophenyl)-2-[[2-(3,4-dichlorophenyl)acetyl]-methylamino]acetate
SMILESCCOC(=O)C(c1ccc(Cl)cc1)N(C)C(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H18Cl3NO3/c1-3-26-19(25)18(13-5-7-14(20)8-6-13)23(2)17(24)11-12-4-9-15(21)16(22)10-12/h4-10,18H,3,11H2,1-2H3
InChIKeyFFCIKONFVVBSOS-UHFFFAOYSA-N
MW414.72 g/mol
LogP4.95
Rot. Bonds6

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

ethyl 2-(4-chlorophenyl)-2-[[2-(3,4-dichlorophenyl)acetyl]-methylamino]acetate (PubChem CID 15682139) has the molecular formula C19H18Cl3NO3 and a molecular weight of 414.72 g/mol. Its IUPAC name is ethyl 2-(4-chlorophenyl)-2-[[2-(3,4-dichlorophenyl)acetyl]-methylamino]acetate.

Molecular Properties

Compound Nameethyl 2-(4-chlorophenyl)-2-[[2-(3,4-dichlorophenyl)acetyl]-methylamino]acetate
PubChem CID15682139
Molecular FormulaC19H18Cl3NO3
Molecular Weight414.72 g/mol
Exact Mass413.04
IUPAC Nameethyl 2-(4-chlorophenyl)-2-[[2-(3,4-dichlorophenyl)acetyl]-methylamino]acetate
SMILESCCOC(=O)C(c1ccc(Cl)cc1)N(C)C(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H18Cl3NO3/c1-3-26-19(25)18(13-5-7-14(20)8-6-13)23(2)17(24)11-12-4-9-15(21)16(22)10-12/h4-10,18H,3,11H2,1-2H3
InChIKeyFFCIKONFVVBSOS-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

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

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Related Compounds

ethyl 3-(4-chlorophenyl)-2-[[2-(2,4-dichlorophenyl)acetyl]-methylamino]propanoate;ethyl 3-(4-chlorophenyl)-2-[[2-(3,4-dichlorophenyl)acetyl]-methylamino]propanoate
CID 159943962
ethyl 2-(3-chloro-4-fluorophenyl)-2-(dimethylamino)acetate
CID 116914266
2-(3,4-dichlorophenyl)-N,N-dimethylacetamide
CID 14740023
ethyl (2S)-2-amino-3-(3,4-dichlorophenyl)propanoate
CID 11043551
N-[(1S)-2-amino-1-phenylethyl]-2-(3,4-dichlorophenyl)-N-methylacetamide
CID 121348065
2-(3,4-dichlorophenyl)-N-methyl-N-[(2S)-1-methylsulfonylpropan-2-yl]acetamide
CID 95171569
2-(3,4-dichlorophenyl)-N-methyl-N-[(S)-phenyl(pyrrolidin-1-yl)methyl]acetamide;propane
CID 160603620
ethyl 3-amino-2-(3,4-dichlorophenyl)-3-oxopropanoate
CID 70584243
2-(4-chlorophenyl)-N-(1-hydroxypropan-2-yl)-N-methylacetamide
CID 115765069
ethyl 2-(3,4-dichlorophenyl)-4-methylpentanoate
CID 46220930
ethyl 5-(3,4-dichlorophenyl)-4-oxopentanoate
CID 63901312
3-[[2-(3,4-dichlorophenyl)acetyl]-ethylamino]butanoic acid
CID 62822279

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-chlorophenyl)-2-[[2-(3,4-dichlorophenyl)acetyl]-methylamino]acetate?
The IUPAC name of ethyl 2-(4-chlorophenyl)-2-[[2-(3,4-dichlorophenyl)acetyl]-methylamino]acetate (CID 15682139) is ethyl 2-(4-chlorophenyl)-2-[[2-(3,4-dichlorophenyl)acetyl]-methylamino]acetate.
What is the SMILES notation for ethyl 2-(4-chlorophenyl)-2-[[2-(3,4-dichlorophenyl)acetyl]-methylamino]acetate?
The canonical SMILES for ethyl 2-(4-chlorophenyl)-2-[[2-(3,4-dichlorophenyl)acetyl]-methylamino]acetate is CCOC(=O)C(c1ccc(Cl)cc1)N(C)C(=O)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of ethyl 2-(4-chlorophenyl)-2-[[2-(3,4-dichlorophenyl)acetyl]-methylamino]acetate?
The InChIKey is FFCIKONFVVBSOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl3NO3/c1-3-26-19(25)18(13-5-7-14(20)8-6-13)23(2)17(24)11-12-4-9-15(21)16(22)10-12/h4-10,18H,3,11H2,1-2H3.
What are the key properties of ethyl 2-(4-chlorophenyl)-2-[[2-(3,4-dichlorophenyl)acetyl]-methylamino]acetate?
ethyl 2-(4-chlorophenyl)-2-[[2-(3,4-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-(4-chlorophenyl)-2-[[2-(3,4-dichlorophenyl)acetyl]-methylamino]acetate is sourced from PubChem (CID 15682139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).