ethyl 2-(4-chlorophenyl)-2-[[2-(2,6-dichlorophenyl)acetyl]-methylamino]acetate

C19H18Cl3NO3 — CID 18964267

IUPACethyl 2-(4-chlorophenyl)-2-[[2-(2,6-dichlorophenyl)acetyl]-methylamino]acetate
SMILESCCOC(=O)C(c1ccc(Cl)cc1)N(C)C(=O)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C19H18Cl3NO3/c1-3-26-19(25)18(12-7-9-13(20)10-8-12)23(2)17(24)11-14-15(21)5-4-6-16(14)22/h4-10,18H,3,11H2,1-2H3
InChIKeyKMJQEZBSFWOFIC-UHFFFAOYSA-N
MW414.72 g/mol
LogP4.95
Rot. Bonds6

About ethyl 2-(4-chlorophenyl)-2-[[2-(2,6-dichlorophenyl)acetyl]-methylamino]acetate

ethyl 2-(4-chlorophenyl)-2-[[2-(2,6-dichlorophenyl)acetyl]-methylamino]acetate (PubChem CID 18964267) has the molecular formula C19H18Cl3NO3 and a molecular weight of 414.72 g/mol. Its IUPAC name is ethyl 2-(4-chlorophenyl)-2-[[2-(2,6-dichlorophenyl)acetyl]-methylamino]acetate.

Molecular Properties

Compound Nameethyl 2-(4-chlorophenyl)-2-[[2-(2,6-dichlorophenyl)acetyl]-methylamino]acetate
PubChem CID18964267
Molecular FormulaC19H18Cl3NO3
Molecular Weight414.72 g/mol
Exact Mass413.04
IUPAC Nameethyl 2-(4-chlorophenyl)-2-[[2-(2,6-dichlorophenyl)acetyl]-methylamino]acetate
SMILESCCOC(=O)C(c1ccc(Cl)cc1)N(C)C(=O)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C19H18Cl3NO3/c1-3-26-19(25)18(12-7-9-13(20)10-8-12)23(2)17(24)11-14-15(21)5-4-6-16(14)22/h4-10,18H,3,11H2,1-2H3
InChIKeyKMJQEZBSFWOFIC-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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Related Compounds

[2-(2,6-Dimethylpiperidin-1-yl)-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 3645747
(S)-Ethyl 2-((2S,3R)-3-(3-chlorophenyl)-2-(4-chlorophenyl)-6-oxopiperidin-1-yl)butanoate
CID 60154117
methyl (2S)-3-(4-chlorophenyl)-2-(dibenzylamino)propanoate
CID 168289633
Ethyl 3-(2-chlorophenyl)-3-[(phenylacetyl)amino]propanoate
CID 4028833
[Cyclohexyl(methyl)carbamoyl]methyl 2-(4-chlorophenyl)acetate
CID 2356160
[2-[Benzyl(methyl)amino]-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 2356232
(2-Oxo-2-piperidin-1-ylethyl) 2-(2,4-dichlorophenyl)acetate
CID 2358398
[2-Oxo-2-(1-phenylethylamino)ethyl] 2-(4-chlorophenyl)acetate
CID 4279960
2-[Benzyl-(2,4-dichloro-benzoyl)-amino]-3-phenyl-propionic acid
CID 504682
[2-(Benzylamino)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate
CID 2606052
[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate
CID 4623898
ethyl (2R)-2-[(2S,3R)-3-(3-chlorophenyl)-2-(4-chlorophenyl)-6-oxopiperidin-1-yl]butanoate
CID 60154118

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-chlorophenyl)-2-[[2-(2,6-dichlorophenyl)acetyl]-methylamino]acetate?
The IUPAC name of ethyl 2-(4-chlorophenyl)-2-[[2-(2,6-dichlorophenyl)acetyl]-methylamino]acetate (CID 18964267) is ethyl 2-(4-chlorophenyl)-2-[[2-(2,6-dichlorophenyl)acetyl]-methylamino]acetate.
What is the SMILES notation for ethyl 2-(4-chlorophenyl)-2-[[2-(2,6-dichlorophenyl)acetyl]-methylamino]acetate?
The canonical SMILES for ethyl 2-(4-chlorophenyl)-2-[[2-(2,6-dichlorophenyl)acetyl]-methylamino]acetate is CCOC(=O)C(c1ccc(Cl)cc1)N(C)C(=O)Cc1c(Cl)cccc1Cl.
What is the InChIKey of ethyl 2-(4-chlorophenyl)-2-[[2-(2,6-dichlorophenyl)acetyl]-methylamino]acetate?
The InChIKey is KMJQEZBSFWOFIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl3NO3/c1-3-26-19(25)18(12-7-9-13(20)10-8-12)23(2)17(24)11-14-15(21)5-4-6-16(14)22/h4-10,18H,3,11H2,1-2H3.
What are the key properties of ethyl 2-(4-chlorophenyl)-2-[[2-(2,6-dichlorophenyl)acetyl]-methylamino]acetate?
ethyl 2-(4-chlorophenyl)-2-[[2-(2,6-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-(2,6-dichlorophenyl)acetyl]-methylamino]acetate is sourced from PubChem (CID 18964267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).