methyl 5-[[2-[[2-[(2,4-dichlorobenzoyl)amino]acetyl]amino]acetyl]oxymethyl]furan-2-carboxylate

C18H16Cl2N2O7 — CID 29390529

IUPACmethyl 5-[[2-[[2-[(2,4-dichlorobenzoyl)amino]acetyl]amino]acetyl]oxymethyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(COC(=O)CNC(=O)CNC(=O)c2ccc(Cl)cc2Cl)o1
InChIInChI=1S/C18H16Cl2N2O7/c1-27-18(26)14-5-3-11(29-14)9-28-16(24)8-21-15(23)7-22-17(25)12-4-2-10(19)6-13(12)20/h2-6H,7-9H2,1H3,(H,21,23)(H,22,25)
InChIKeyLMAZWBOAPDYSGS-UHFFFAOYSA-N
MW443.24 g/mol
LogP1.96
Rot. Bonds8

About methyl 5-[[2-[[2-[(2,4-dichlorobenzoyl)amino]acetyl]amino]acetyl]oxymethyl]furan-2-carboxylate

methyl 5-[[2-[[2-[(2,4-dichlorobenzoyl)amino]acetyl]amino]acetyl]oxymethyl]furan-2-carboxylate (PubChem CID 29390529) has the molecular formula C18H16Cl2N2O7 and a molecular weight of 443.24 g/mol. Its IUPAC name is methyl 5-[[2-[[2-[(2,4-dichlorobenzoyl)amino]acetyl]amino]acetyl]oxymethyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[2-[[2-[(2,4-dichlorobenzoyl)amino]acetyl]amino]acetyl]oxymethyl]furan-2-carboxylate
PubChem CID29390529
Molecular FormulaC18H16Cl2N2O7
Molecular Weight443.24 g/mol
Exact Mass442.03
IUPAC Namemethyl 5-[[2-[[2-[(2,4-dichlorobenzoyl)amino]acetyl]amino]acetyl]oxymethyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(COC(=O)CNC(=O)CNC(=O)c2ccc(Cl)cc2Cl)o1
InChIInChI=1S/C18H16Cl2N2O7/c1-27-18(26)14-5-3-11(29-14)9-28-16(24)8-21-15(23)7-22-17(25)12-4-2-10(19)6-13(12)20/h2-6H,7-9H2,1H3,(H,21,23)(H,22,25)
InChIKeyLMAZWBOAPDYSGS-UHFFFAOYSA-N
XLogP1.96
TPSA123.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.24
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 5-[[2-[[2-[(2,4-dichlorobenzoyl)amino]acetyl]amino]acetyl]oxymethyl]furan-2-carboxylate 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 methyl 5-[[2-[[2-[(2,4-dichlorobenzoyl)amino]acetyl]amino]acetyl]oxymethyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[[2-[[2-[(2,4-dichlorobenzoyl)amino]acetyl]amino]acetyl]oxymethyl]furan-2-carboxylate (CID 29390529) is methyl 5-[[2-[[2-[(2,4-dichlorobenzoyl)amino]acetyl]amino]acetyl]oxymethyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[[2-[[2-[(2,4-dichlorobenzoyl)amino]acetyl]amino]acetyl]oxymethyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[[2-[[2-[(2,4-dichlorobenzoyl)amino]acetyl]amino]acetyl]oxymethyl]furan-2-carboxylate is COC(=O)c1ccc(COC(=O)CNC(=O)CNC(=O)c2ccc(Cl)cc2Cl)o1.
What is the InChIKey of methyl 5-[[2-[[2-[(2,4-dichlorobenzoyl)amino]acetyl]amino]acetyl]oxymethyl]furan-2-carboxylate?
The InChIKey is LMAZWBOAPDYSGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N2O7/c1-27-18(26)14-5-3-11(29-14)9-28-16(24)8-21-15(23)7-22-17(25)12-4-2-10(19)6-13(12)20/h2-6H,7-9H2,1H3,(H,21,23)(H,22,25).
What are the key properties of methyl 5-[[2-[[2-[(2,4-dichlorobenzoyl)amino]acetyl]amino]acetyl]oxymethyl]furan-2-carboxylate?
methyl 5-[[2-[[2-[(2,4-dichlorobenzoyl)amino]acetyl]amino]acetyl]oxymethyl]furan-2-carboxylate has a molecular weight of 443.24 g/mol, XLogP of 1.96, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[2-[[2-[(2,4-dichlorobenzoyl)amino]acetyl]amino]acetyl]oxymethyl]furan-2-carboxylate is sourced from PubChem (CID 29390529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).