methyl 2-[(2,5-dichlorophenyl)carbamoyl-ethylamino]acetate

C12H14Cl2N2O3 — CID 54998078

IUPACmethyl 2-[(2,5-dichlorophenyl)carbamoyl-ethylamino]acetate
SMILESCCN(CC(=O)OC)C(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C12H14Cl2N2O3/c1-3-16(7-11(17)19-2)12(18)15-10-6-8(13)4-5-9(10)14/h4-6H,3,7H2,1-2H3,(H,15,18)
InChIKeyIDOJSECMYZWVFU-UHFFFAOYSA-N
MW305.16 g/mol
LogP3.02
Rot. Bonds4

About methyl 2-[(2,5-dichlorophenyl)carbamoyl-ethylamino]acetate

methyl 2-[(2,5-dichlorophenyl)carbamoyl-ethylamino]acetate (PubChem CID 54998078) has the molecular formula C12H14Cl2N2O3 and a molecular weight of 305.16 g/mol. Its IUPAC name is methyl 2-[(2,5-dichlorophenyl)carbamoyl-ethylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2,5-dichlorophenyl)carbamoyl-ethylamino]acetate
PubChem CID54998078
Molecular FormulaC12H14Cl2N2O3
Molecular Weight305.16 g/mol
Exact Mass304.04
IUPAC Namemethyl 2-[(2,5-dichlorophenyl)carbamoyl-ethylamino]acetate
SMILESCCN(CC(=O)OC)C(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C12H14Cl2N2O3/c1-3-16(7-11(17)19-2)12(18)15-10-6-8(13)4-5-9(10)14/h4-6H,3,7H2,1-2H3,(H,15,18)
InChIKeyIDOJSECMYZWVFU-UHFFFAOYSA-N
XLogP3.02
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.16
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[(2,5-dichlorophenyl)carbamoyl-methylamino]acetate
CID 43624007
N-(2,5-dichlorophenyl)-N',N'-diethyloxamide
CID 39370052
1-butyl-3-(2,5-dichlorophenyl)-1-propylurea
CID 108886146
3-(2,5-dichlorophenyl)-1-ethyl-1-phenylurea
CID 108886137
4-chloro-2-[[ethyl(2-methoxyethyl)carbamoyl]amino]benzoic acid
CID 61447781
ethyl 2-[(4-chlorophenyl)carbamoyl-ethylamino]acetate
CID 54900426
1-N-(2,5-dichlorophenyl)-1-N',1-N'-diethylcyclopropane-1,1-dicarboxamide
CID 108979145
3-(2-chloro-5-nitrophenyl)-1,1-diethylurea
CID 17257251
methyl 2-(2,5-dichloroanilino)-2-oxoacetate
CID 11543309
3-[(5-chloro-2-methoxyphenyl)carbamoyl-ethylamino]-2-methylpropanoic acid
CID 62852461
2-(diethylamino)ethyl N-(2,5-dichlorophenyl)carbamate
CID 30027
3-(2-chloro-5-fluorophenyl)-1-ethyl-1-(2-hydroxyethyl)urea
CID 110930823

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2,5-dichlorophenyl)carbamoyl-ethylamino]acetate?
The IUPAC name of methyl 2-[(2,5-dichlorophenyl)carbamoyl-ethylamino]acetate (CID 54998078) is methyl 2-[(2,5-dichlorophenyl)carbamoyl-ethylamino]acetate.
What is the SMILES notation for methyl 2-[(2,5-dichlorophenyl)carbamoyl-ethylamino]acetate?
The canonical SMILES for methyl 2-[(2,5-dichlorophenyl)carbamoyl-ethylamino]acetate is CCN(CC(=O)OC)C(=O)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of methyl 2-[(2,5-dichlorophenyl)carbamoyl-ethylamino]acetate?
The InChIKey is IDOJSECMYZWVFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2O3/c1-3-16(7-11(17)19-2)12(18)15-10-6-8(13)4-5-9(10)14/h4-6H,3,7H2,1-2H3,(H,15,18).
What are the key properties of methyl 2-[(2,5-dichlorophenyl)carbamoyl-ethylamino]acetate?
methyl 2-[(2,5-dichlorophenyl)carbamoyl-ethylamino]acetate has a molecular weight of 305.16 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2,5-dichlorophenyl)carbamoyl-ethylamino]acetate is sourced from PubChem (CID 54998078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).