[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate

C17H17ClN2O6 — CID 9108887

IUPAC[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate
SMILESCOc1ccc(NC(=O)COC(=O)CCNC(=O)c2ccco2)cc1Cl
InChIInChI=1S/C17H17ClN2O6/c1-24-13-5-4-11(9-12(13)18)20-15(21)10-26-16(22)6-7-19-17(23)14-3-2-8-25-14/h2-5,8-9H,6-7,10H2,1H3,(H,19,23)(H,20,21)
InChIKeyLCTNXCVKOWRHCN-UHFFFAOYSA-N
MW380.78 g/mol
LogP2.24
Rot. Bonds8

About [2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate

[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate (PubChem CID 9108887) has the molecular formula C17H17ClN2O6 and a molecular weight of 380.78 g/mol. Its IUPAC name is [2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate.

Molecular Properties

Compound Name[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate
PubChem CID9108887
Molecular FormulaC17H17ClN2O6
Molecular Weight380.78 g/mol
Exact Mass380.08
IUPAC Name[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate
SMILESCOc1ccc(NC(=O)COC(=O)CCNC(=O)c2ccco2)cc1Cl
InChIInChI=1S/C17H17ClN2O6/c1-24-13-5-4-11(9-12(13)18)20-15(21)10-26-16(22)6-7-19-17(23)14-3-2-8-25-14/h2-5,8-9H,6-7,10H2,1H3,(H,19,23)(H,20,21)
InChIKeyLCTNXCVKOWRHCN-UHFFFAOYSA-N
XLogP2.24
TPSA106.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.78
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate 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 [2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate?
The IUPAC name of [2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate (CID 9108887) is [2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate.
What is the SMILES notation for [2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate?
The canonical SMILES for [2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate is COc1ccc(NC(=O)COC(=O)CCNC(=O)c2ccco2)cc1Cl.
What is the InChIKey of [2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate?
The InChIKey is LCTNXCVKOWRHCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O6/c1-24-13-5-4-11(9-12(13)18)20-15(21)10-26-16(22)6-7-19-17(23)14-3-2-8-25-14/h2-5,8-9H,6-7,10H2,1H3,(H,19,23)(H,20,21).
What are the key properties of [2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate?
[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate has a molecular weight of 380.78 g/mol, XLogP of 2.24, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate is sourced from PubChem (CID 9108887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).