dimethyl 4-[4-(1-benzofuran-2-carbonylamino)phenoxy]benzene-1,2-dicarboxylate

C25H19NO7 — CID 17360430

IUPACdimethyl 4-[4-(1-benzofuran-2-carbonylamino)phenoxy]benzene-1,2-dicarboxylate
SMILESCOC(=O)c1ccc(Oc2ccc(NC(=O)c3cc4ccccc4o3)cc2)cc1C(=O)OC
InChIInChI=1S/C25H19NO7/c1-30-24(28)19-12-11-18(14-20(19)25(29)31-2)32-17-9-7-16(8-10-17)26-23(27)22-13-15-5-3-4-6-21(15)33-22/h3-14H,1-2H3,(H,26,27)
InChIKeyWIKIFIORJUQBPX-UHFFFAOYSA-N
MW445.43 g/mol
LogP5.05
Rot. Bonds6

About dimethyl 4-[4-(1-benzofuran-2-carbonylamino)phenoxy]benzene-1,2-dicarboxylate

dimethyl 4-[4-(1-benzofuran-2-carbonylamino)phenoxy]benzene-1,2-dicarboxylate (PubChem CID 17360430) has the molecular formula C25H19NO7 and a molecular weight of 445.43 g/mol. Its IUPAC name is dimethyl 4-[4-(1-benzofuran-2-carbonylamino)phenoxy]benzene-1,2-dicarboxylate.

Molecular Properties

Compound Namedimethyl 4-[4-(1-benzofuran-2-carbonylamino)phenoxy]benzene-1,2-dicarboxylate
PubChem CID17360430
Molecular FormulaC25H19NO7
Molecular Weight445.43 g/mol
Exact Mass445.12
IUPAC Namedimethyl 4-[4-(1-benzofuran-2-carbonylamino)phenoxy]benzene-1,2-dicarboxylate
SMILESCOC(=O)c1ccc(Oc2ccc(NC(=O)c3cc4ccccc4o3)cc2)cc1C(=O)OC
InChIInChI=1S/C25H19NO7/c1-30-24(28)19-12-11-18(14-20(19)25(29)31-2)32-17-9-7-16(8-10-17)26-23(27)22-13-15-5-3-4-6-21(15)33-22/h3-14H,1-2H3,(H,26,27)
InChIKeyWIKIFIORJUQBPX-UHFFFAOYSA-N
XLogP5.05
TPSA104.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.43
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze dimethyl 4-[4-(1-benzofuran-2-carbonylamino)phenoxy]benzene-1,2-dicarboxylate 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

2-[(4-fluorosulfonyloxyphenyl)carbamoyl]-1-benzofuran
CID 146097133
4-[3-(1-benzofuran-2-carbonylamino)phenoxy]phthalic acid
CID 17360428
[4-(1-benzofuran-2-carbonylamino)phenyl] acetate
CID 6457571
N-[4-[2-(methoxyamino)-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide
CID 60572574
N-(4-iodophenyl)-1-benzofuran-2-carboxamide
CID 986281
5-methoxy-N-(4-methoxyphenyl)-1-benzofuran-2-carboxamide
CID 51432206
dimethyl 4-[4-[[2-(4-methoxyphenyl)acetyl]amino]phenoxy]benzene-1,2-dicarboxylate
CID 17296753
N-[[4-(acetylcarbamothioylamino)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide
CID 3718880
N-[4-[(2,4-dichlorobenzoyl)amino]phenyl]-1-benzofuran-2-carboxamide
CID 1107583
dimethyl 4-[4-(2-methylpropanoylamino)phenoxy]benzene-1,2-dicarboxylate
CID 9321663
N-[4-(naphthalene-1-carbonylcarbamothioylamino)phenyl]-1-benzofuran-2-carboxamide
CID 17109692
N-(4-sulfamoylphenyl)-1-benzofuran-2-carboxamide
CID 744283

Frequently Asked Questions

What is the IUPAC name of dimethyl 4-[4-(1-benzofuran-2-carbonylamino)phenoxy]benzene-1,2-dicarboxylate?
The IUPAC name of dimethyl 4-[4-(1-benzofuran-2-carbonylamino)phenoxy]benzene-1,2-dicarboxylate (CID 17360430) is dimethyl 4-[4-(1-benzofuran-2-carbonylamino)phenoxy]benzene-1,2-dicarboxylate.
What is the SMILES notation for dimethyl 4-[4-(1-benzofuran-2-carbonylamino)phenoxy]benzene-1,2-dicarboxylate?
The canonical SMILES for dimethyl 4-[4-(1-benzofuran-2-carbonylamino)phenoxy]benzene-1,2-dicarboxylate is COC(=O)c1ccc(Oc2ccc(NC(=O)c3cc4ccccc4o3)cc2)cc1C(=O)OC.
What is the InChIKey of dimethyl 4-[4-(1-benzofuran-2-carbonylamino)phenoxy]benzene-1,2-dicarboxylate?
The InChIKey is WIKIFIORJUQBPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19NO7/c1-30-24(28)19-12-11-18(14-20(19)25(29)31-2)32-17-9-7-16(8-10-17)26-23(27)22-13-15-5-3-4-6-21(15)33-22/h3-14H,1-2H3,(H,26,27).
What are the key properties of dimethyl 4-[4-(1-benzofuran-2-carbonylamino)phenoxy]benzene-1,2-dicarboxylate?
dimethyl 4-[4-(1-benzofuran-2-carbonylamino)phenoxy]benzene-1,2-dicarboxylate has a molecular weight of 445.43 g/mol, XLogP of 5.05, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 4-[4-(1-benzofuran-2-carbonylamino)phenoxy]benzene-1,2-dicarboxylate is sourced from PubChem (CID 17360430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).