ethyl 2-[[2-chloro-4-(methylamino)benzoyl]-methylamino]acetate

C13H17ClN2O3 — CID 136560528

IUPACethyl 2-[[2-chloro-4-(methylamino)benzoyl]-methylamino]acetate
SMILESCCOC(=O)CN(C)C(=O)c1ccc(NC)cc1Cl
InChIInChI=1S/C13H17ClN2O3/c1-4-19-12(17)8-16(3)13(18)10-6-5-9(15-2)7-11(10)14/h5-7,15H,4,8H2,1-3H3
InChIKeyCOJUADYJPNIBNQ-UHFFFAOYSA-N
MW284.74 g/mol
LogP2.02
Rot. Bonds5

About ethyl 2-[[2-chloro-4-(methylamino)benzoyl]-methylamino]acetate

ethyl 2-[[2-chloro-4-(methylamino)benzoyl]-methylamino]acetate (PubChem CID 136560528) has the molecular formula C13H17ClN2O3 and a molecular weight of 284.74 g/mol. Its IUPAC name is ethyl 2-[[2-chloro-4-(methylamino)benzoyl]-methylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-chloro-4-(methylamino)benzoyl]-methylamino]acetate
PubChem CID136560528
Molecular FormulaC13H17ClN2O3
Molecular Weight284.74 g/mol
Exact Mass284.09
IUPAC Nameethyl 2-[[2-chloro-4-(methylamino)benzoyl]-methylamino]acetate
SMILESCCOC(=O)CN(C)C(=O)c1ccc(NC)cc1Cl
InChIInChI=1S/C13H17ClN2O3/c1-4-19-12(17)8-16(3)13(18)10-6-5-9(15-2)7-11(10)14/h5-7,15H,4,8H2,1-3H3
InChIKeyCOJUADYJPNIBNQ-UHFFFAOYSA-N
XLogP2.02
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.74
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[[2-chloro-4-(methylamino)benzoyl]-methylamino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-chloro-4-(methylamino)benzoyl]-methylamino]acetate?
The IUPAC name of ethyl 2-[[2-chloro-4-(methylamino)benzoyl]-methylamino]acetate (CID 136560528) is ethyl 2-[[2-chloro-4-(methylamino)benzoyl]-methylamino]acetate.
What is the SMILES notation for ethyl 2-[[2-chloro-4-(methylamino)benzoyl]-methylamino]acetate?
The canonical SMILES for ethyl 2-[[2-chloro-4-(methylamino)benzoyl]-methylamino]acetate is CCOC(=O)CN(C)C(=O)c1ccc(NC)cc1Cl.
What is the InChIKey of ethyl 2-[[2-chloro-4-(methylamino)benzoyl]-methylamino]acetate?
The InChIKey is COJUADYJPNIBNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O3/c1-4-19-12(17)8-16(3)13(18)10-6-5-9(15-2)7-11(10)14/h5-7,15H,4,8H2,1-3H3.
What are the key properties of ethyl 2-[[2-chloro-4-(methylamino)benzoyl]-methylamino]acetate?
ethyl 2-[[2-chloro-4-(methylamino)benzoyl]-methylamino]acetate has a molecular weight of 284.74 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-chloro-4-(methylamino)benzoyl]-methylamino]acetate is sourced from PubChem (CID 136560528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).