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

C11H12Cl2N2O3 — CID 43624007

IUPACmethyl 2-[(2,5-dichlorophenyl)carbamoyl-methylamino]acetate
SMILESCOC(=O)CN(C)C(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C11H12Cl2N2O3/c1-15(6-10(16)18-2)11(17)14-9-5-7(12)3-4-8(9)13/h3-5H,6H2,1-2H3,(H,14,17)
InChIKeyYTLFENRVDCXMAR-UHFFFAOYSA-N
MW291.13 g/mol
LogP2.63
Rot. Bonds3

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

methyl 2-[(2,5-dichlorophenyl)carbamoyl-methylamino]acetate (PubChem CID 43624007) has the molecular formula C11H12Cl2N2O3 and a molecular weight of 291.13 g/mol. Its IUPAC name is methyl 2-[(2,5-dichlorophenyl)carbamoyl-methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2,5-dichlorophenyl)carbamoyl-methylamino]acetate
PubChem CID43624007
Molecular FormulaC11H12Cl2N2O3
Molecular Weight291.13 g/mol
Exact Mass290.02
IUPAC Namemethyl 2-[(2,5-dichlorophenyl)carbamoyl-methylamino]acetate
SMILESCOC(=O)CN(C)C(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C11H12Cl2N2O3/c1-15(6-10(16)18-2)11(17)14-9-5-7(12)3-4-8(9)13/h3-5H,6H2,1-2H3,(H,14,17)
InChIKeyYTLFENRVDCXMAR-UHFFFAOYSA-N
XLogP2.63
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.13
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[(2,5-dichlorophenyl)carbamoyl-ethylamino]acetate
CID 54998078
3-(2,5-dichlorophenyl)-1-(2-hydroxy-3-methoxypropyl)-1-methylurea
CID 54979402
1-(3-bromopropyl)-3-(2,5-dichlorophenyl)-1-methylurea
CID 106441565
3-[[2-(2,5-dichloroanilino)-2-oxoethyl]-methylamino]propanoic acid
CID 60986545
methyl 2-(2,5-dichloroanilino)-2-oxoacetate
CID 11543309
methyl 2-[(4-chloro-2-fluorobenzoyl)-methylamino]acetate
CID 43408243
3-(5-chloro-2-methylphenyl)-1-(2-methoxyethyl)-1-methylurea
CID 47324738
methyl 2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-methylamino]acetate
CID 60660360
methyl 3-[[butyl(methyl)carbamoyl]amino]-4-chlorobenzoate
CID 108990819
N'-(2,5-dichlorophenyl)-N-[2-(dimethylamino)ethyl]oxamide
CID 108501046
3-[2-aminoethyl(methyl)amino]-N-(2,5-dichlorophenyl)propanamide
CID 55103947
N-(2,5-dichlorophenyl)-N'-propan-2-yloxamide
CID 2988512

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2,5-dichlorophenyl)carbamoyl-methylamino]acetate?
The IUPAC name of methyl 2-[(2,5-dichlorophenyl)carbamoyl-methylamino]acetate (CID 43624007) is methyl 2-[(2,5-dichlorophenyl)carbamoyl-methylamino]acetate.
What is the SMILES notation for methyl 2-[(2,5-dichlorophenyl)carbamoyl-methylamino]acetate?
The canonical SMILES for methyl 2-[(2,5-dichlorophenyl)carbamoyl-methylamino]acetate is COC(=O)CN(C)C(=O)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of methyl 2-[(2,5-dichlorophenyl)carbamoyl-methylamino]acetate?
The InChIKey is YTLFENRVDCXMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N2O3/c1-15(6-10(16)18-2)11(17)14-9-5-7(12)3-4-8(9)13/h3-5H,6H2,1-2H3,(H,14,17).
What are the key properties of methyl 2-[(2,5-dichlorophenyl)carbamoyl-methylamino]acetate?
methyl 2-[(2,5-dichlorophenyl)carbamoyl-methylamino]acetate has a molecular weight of 291.13 g/mol, XLogP of 2.63, 3 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-methylamino]acetate is sourced from PubChem (CID 43624007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).