ethyl 2-[(3-chlorophenyl)carbamoylamino]acetate

C11H13ClN2O3 — CID 3478280

IUPACethyl 2-[(3-chlorophenyl)carbamoylamino]acetate
SMILESCCOC(=O)CNC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C11H13ClN2O3/c1-2-17-10(15)7-13-11(16)14-9-5-3-4-8(12)6-9/h3-6H,2,7H2,1H3,(H2,13,14,16)
InChIKeyYLWQSWHHUIYSOE-UHFFFAOYSA-N
MW256.69 g/mol
LogP2.02
Rot. Bonds4

About ethyl 2-[(3-chlorophenyl)carbamoylamino]acetate

ethyl 2-[(3-chlorophenyl)carbamoylamino]acetate (PubChem CID 3478280) has the molecular formula C11H13ClN2O3 and a molecular weight of 256.69 g/mol. Its IUPAC name is ethyl 2-[(3-chlorophenyl)carbamoylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(3-chlorophenyl)carbamoylamino]acetate
PubChem CID3478280
Molecular FormulaC11H13ClN2O3
Molecular Weight256.69 g/mol
Exact Mass256.06
IUPAC Nameethyl 2-[(3-chlorophenyl)carbamoylamino]acetate
SMILESCCOC(=O)CNC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C11H13ClN2O3/c1-2-17-10(15)7-13-11(16)14-9-5-3-4-8(12)6-9/h3-6H,2,7H2,1H3,(H2,13,14,16)
InChIKeyYLWQSWHHUIYSOE-UHFFFAOYSA-N
XLogP2.02
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.69
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze ethyl 2-[(3-chlorophenyl)carbamoylamino]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-[(3-chlorophenyl)carbamoylamino]acetate?
The IUPAC name of ethyl 2-[(3-chlorophenyl)carbamoylamino]acetate (CID 3478280) is ethyl 2-[(3-chlorophenyl)carbamoylamino]acetate.
What is the SMILES notation for ethyl 2-[(3-chlorophenyl)carbamoylamino]acetate?
The canonical SMILES for ethyl 2-[(3-chlorophenyl)carbamoylamino]acetate is CCOC(=O)CNC(=O)Nc1cccc(Cl)c1.
What is the InChIKey of ethyl 2-[(3-chlorophenyl)carbamoylamino]acetate?
The InChIKey is YLWQSWHHUIYSOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O3/c1-2-17-10(15)7-13-11(16)14-9-5-3-4-8(12)6-9/h3-6H,2,7H2,1H3,(H2,13,14,16).
What are the key properties of ethyl 2-[(3-chlorophenyl)carbamoylamino]acetate?
ethyl 2-[(3-chlorophenyl)carbamoylamino]acetate has a molecular weight of 256.69 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3-chlorophenyl)carbamoylamino]acetate is sourced from PubChem (CID 3478280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).