ethyl 2-[[2-(2-chloro-6-fluorophenyl)acetyl]-cyclopropylamino]acetate

C15H17ClFNO3 — CID 61410393

IUPACethyl 2-[[2-(2-chloro-6-fluorophenyl)acetyl]-cyclopropylamino]acetate
SMILESCCOC(=O)CN(C(=O)Cc1c(F)cccc1Cl)C1CC1
InChIInChI=1S/C15H17ClFNO3/c1-2-21-15(20)9-18(10-6-7-10)14(19)8-11-12(16)4-3-5-13(11)17/h3-5,10H,2,6-9H2,1H3
InChIKeyQFQGEGLYHIBGSA-UHFFFAOYSA-N
MW313.76 g/mol
LogP2.58
Rot. Bonds6

About ethyl 2-[[2-(2-chloro-6-fluorophenyl)acetyl]-cyclopropylamino]acetate

ethyl 2-[[2-(2-chloro-6-fluorophenyl)acetyl]-cyclopropylamino]acetate (PubChem CID 61410393) has the molecular formula C15H17ClFNO3 and a molecular weight of 313.76 g/mol. Its IUPAC name is ethyl 2-[[2-(2-chloro-6-fluorophenyl)acetyl]-cyclopropylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-(2-chloro-6-fluorophenyl)acetyl]-cyclopropylamino]acetate
PubChem CID61410393
Molecular FormulaC15H17ClFNO3
Molecular Weight313.76 g/mol
Exact Mass313.09
IUPAC Nameethyl 2-[[2-(2-chloro-6-fluorophenyl)acetyl]-cyclopropylamino]acetate
SMILESCCOC(=O)CN(C(=O)Cc1c(F)cccc1Cl)C1CC1
InChIInChI=1S/C15H17ClFNO3/c1-2-21-15(20)9-18(10-6-7-10)14(19)8-11-12(16)4-3-5-13(11)17/h3-5,10H,2,6-9H2,1H3
InChIKeyQFQGEGLYHIBGSA-UHFFFAOYSA-N
XLogP2.58
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.76
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 2-[[2-(2-chloro-6-fluorophenyl)acetyl]-cyclopropylamino]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-(2-chloro-6-fluorophenyl)acetyl]-cyclopropylamino]acetate?
The IUPAC name of ethyl 2-[[2-(2-chloro-6-fluorophenyl)acetyl]-cyclopropylamino]acetate (CID 61410393) is ethyl 2-[[2-(2-chloro-6-fluorophenyl)acetyl]-cyclopropylamino]acetate.
What is the SMILES notation for ethyl 2-[[2-(2-chloro-6-fluorophenyl)acetyl]-cyclopropylamino]acetate?
The canonical SMILES for ethyl 2-[[2-(2-chloro-6-fluorophenyl)acetyl]-cyclopropylamino]acetate is CCOC(=O)CN(C(=O)Cc1c(F)cccc1Cl)C1CC1.
What is the InChIKey of ethyl 2-[[2-(2-chloro-6-fluorophenyl)acetyl]-cyclopropylamino]acetate?
The InChIKey is QFQGEGLYHIBGSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClFNO3/c1-2-21-15(20)9-18(10-6-7-10)14(19)8-11-12(16)4-3-5-13(11)17/h3-5,10H,2,6-9H2,1H3.
What are the key properties of ethyl 2-[[2-(2-chloro-6-fluorophenyl)acetyl]-cyclopropylamino]acetate?
ethyl 2-[[2-(2-chloro-6-fluorophenyl)acetyl]-cyclopropylamino]acetate has a molecular weight of 313.76 g/mol, XLogP of 2.58, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(2-chloro-6-fluorophenyl)acetyl]-cyclopropylamino]acetate is sourced from PubChem (CID 61410393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).