ethyl 2-[(5-amino-2-chlorobenzoyl)-methylamino]acetate

C12H15ClN2O3 — CID 54969553

IUPACethyl 2-[(5-amino-2-chlorobenzoyl)-methylamino]acetate
SMILESCCOC(=O)CN(C)C(=O)c1cc(N)ccc1Cl
InChIInChI=1S/C12H15ClN2O3/c1-3-18-11(16)7-15(2)12(17)9-6-8(14)4-5-10(9)13/h4-6H,3,7,14H2,1-2H3
InChIKeyKAKLJPLDIFENBH-UHFFFAOYSA-N
MW270.72 g/mol
LogP1.56
Rot. Bonds4

About ethyl 2-[(5-amino-2-chlorobenzoyl)-methylamino]acetate

ethyl 2-[(5-amino-2-chlorobenzoyl)-methylamino]acetate (PubChem CID 54969553) has the molecular formula C12H15ClN2O3 and a molecular weight of 270.72 g/mol. Its IUPAC name is ethyl 2-[(5-amino-2-chlorobenzoyl)-methylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(5-amino-2-chlorobenzoyl)-methylamino]acetate
PubChem CID54969553
Molecular FormulaC12H15ClN2O3
Molecular Weight270.72 g/mol
Exact Mass270.08
IUPAC Nameethyl 2-[(5-amino-2-chlorobenzoyl)-methylamino]acetate
SMILESCCOC(=O)CN(C)C(=O)c1cc(N)ccc1Cl
InChIInChI=1S/C12H15ClN2O3/c1-3-18-11(16)7-15(2)12(17)9-6-8(14)4-5-10(9)13/h4-6H,3,7,14H2,1-2H3
InChIKeyKAKLJPLDIFENBH-UHFFFAOYSA-N
XLogP1.56
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[(5-amino-2-methylbenzoyl)-methylamino]acetate
CID 54969504
ethyl 2-[(3,6-dichloropyridazine-4-carbonyl)-methylamino]acetate
CID 55003828
5-amino-2-chloro-N-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 60893071
ethyl 2-[(2-hydroxybenzoyl)-methylamino]acetate
CID 60584835
ethyl 2-[methyl-(2-methylbenzoyl)amino]acetate
CID 54785112
ethyl 2-[(5-amino-1H-indole-2-carbonyl)-methylamino]acetate
CID 63118284
5-amino-2-chloro-N,N-dipropylbenzamide
CID 16777206
ethyl 2-[(2-bromobenzoyl)-methylamino]acetate
CID 54982790
4-amino-2-chloro-N-[2-(ethylamino)-2-oxoethyl]-N-methylbenzamide
CID 61115647
5-amino-2-chloro-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 106913729
ethyl 2-[(2-fluoro-4-hydroxybenzoyl)-methylamino]acetate
CID 113355630
ethyl 2-[(5-bromo-2-chlorobenzoyl)-ethylamino]acetate
CID 61021378

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(5-amino-2-chlorobenzoyl)-methylamino]acetate?
The IUPAC name of ethyl 2-[(5-amino-2-chlorobenzoyl)-methylamino]acetate (CID 54969553) is ethyl 2-[(5-amino-2-chlorobenzoyl)-methylamino]acetate.
What is the SMILES notation for ethyl 2-[(5-amino-2-chlorobenzoyl)-methylamino]acetate?
The canonical SMILES for ethyl 2-[(5-amino-2-chlorobenzoyl)-methylamino]acetate is CCOC(=O)CN(C)C(=O)c1cc(N)ccc1Cl.
What is the InChIKey of ethyl 2-[(5-amino-2-chlorobenzoyl)-methylamino]acetate?
The InChIKey is KAKLJPLDIFENBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O3/c1-3-18-11(16)7-15(2)12(17)9-6-8(14)4-5-10(9)13/h4-6H,3,7,14H2,1-2H3.
What are the key properties of ethyl 2-[(5-amino-2-chlorobenzoyl)-methylamino]acetate?
ethyl 2-[(5-amino-2-chlorobenzoyl)-methylamino]acetate has a molecular weight of 270.72 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(5-amino-2-chlorobenzoyl)-methylamino]acetate is sourced from PubChem (CID 54969553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).