methyl 2-[5-chloro-2-(ethylcarbamoyl)anilino]acetate

C12H15ClN2O3 — CID 47064206

IUPACmethyl 2-[5-chloro-2-(ethylcarbamoyl)anilino]acetate
SMILESCCNC(=O)c1ccc(Cl)cc1NCC(=O)OC
InChIInChI=1S/C12H15ClN2O3/c1-3-14-12(17)9-5-4-8(13)6-10(9)15-7-11(16)18-2/h4-6,15H,3,7H2,1-2H3,(H,14,17)
InChIKeyJPFUAASLNFQUNT-UHFFFAOYSA-N
MW270.72 g/mol
LogP1.67
Rot. Bonds5

About methyl 2-[5-chloro-2-(ethylcarbamoyl)anilino]acetate

methyl 2-[5-chloro-2-(ethylcarbamoyl)anilino]acetate (PubChem CID 47064206) has the molecular formula C12H15ClN2O3 and a molecular weight of 270.72 g/mol. Its IUPAC name is methyl 2-[5-chloro-2-(ethylcarbamoyl)anilino]acetate.

Molecular Properties

Compound Namemethyl 2-[5-chloro-2-(ethylcarbamoyl)anilino]acetate
PubChem CID47064206
Molecular FormulaC12H15ClN2O3
Molecular Weight270.72 g/mol
Exact Mass270.08
IUPAC Namemethyl 2-[5-chloro-2-(ethylcarbamoyl)anilino]acetate
SMILESCCNC(=O)c1ccc(Cl)cc1NCC(=O)OC
InChIInChI=1S/C12H15ClN2O3/c1-3-14-12(17)9-5-4-8(13)6-10(9)15-7-11(16)18-2/h4-6,15H,3,7H2,1-2H3,(H,14,17)
InChIKeyJPFUAASLNFQUNT-UHFFFAOYSA-N
XLogP1.67
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 2-[5-chloro-2-(ethylcarbamoyl)anilino]acetate with MolForge

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

Launch Full Analysis

Related Compounds

4-chloro-2-[[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl]amino]-N-ethylbenzamide
CID 71922694
methyl 2-(2-acetamido-5-chloroanilino)acetate
CID 60603139
methyl 2-(2-bromo-4-chloroanilino)acetate
CID 80978880
4-chloro-2-[[2-(4-chloroanilino)-2-oxoethyl]amino]-N-propylbenzamide
CID 55917656
5-[5-chloro-2-(ethylcarbamoyl)anilino]-3,3-dimethyl-5-oxopentanoic acid
CID 51088112
methyl 2-[(5-chloro-2-iodobenzoyl)amino]acetate
CID 47190528
4-chloro-N-ethyl-2-[4-(methylamino)butanoylamino]benzamide
CID 119714153
methyl 4-[2-(tert-butylcarbamoyl)-5-chloroanilino]butanoate
CID 132517383
1-[4-chloro-2-(ethylamino)phenyl]propan-1-one
CID 23619743
2-bromo-5-chloro-N-ethylbenzamide
CID 18630175
4-chloro-2-[[2-(3-chloroanilino)-2-oxoethyl]amino]-N-propylbenzamide
CID 52704581
4-amino-N-ethyl-2-[(2-methoxy-2-methylpropyl)amino]benzamide
CID 104758824

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-chloro-2-(ethylcarbamoyl)anilino]acetate?
The IUPAC name of methyl 2-[5-chloro-2-(ethylcarbamoyl)anilino]acetate (CID 47064206) is methyl 2-[5-chloro-2-(ethylcarbamoyl)anilino]acetate.
What is the SMILES notation for methyl 2-[5-chloro-2-(ethylcarbamoyl)anilino]acetate?
The canonical SMILES for methyl 2-[5-chloro-2-(ethylcarbamoyl)anilino]acetate is CCNC(=O)c1ccc(Cl)cc1NCC(=O)OC.
What is the InChIKey of methyl 2-[5-chloro-2-(ethylcarbamoyl)anilino]acetate?
The InChIKey is JPFUAASLNFQUNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O3/c1-3-14-12(17)9-5-4-8(13)6-10(9)15-7-11(16)18-2/h4-6,15H,3,7H2,1-2H3,(H,14,17).
What are the key properties of methyl 2-[5-chloro-2-(ethylcarbamoyl)anilino]acetate?
methyl 2-[5-chloro-2-(ethylcarbamoyl)anilino]acetate has a molecular weight of 270.72 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-chloro-2-(ethylcarbamoyl)anilino]acetate is sourced from PubChem (CID 47064206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).