dimethyl 5-(furan-2-carbonylamino)benzene-1,3-dicarboxylate

C15H13NO6 — CID 711226

IUPACdimethyl 5-(furan-2-carbonylamino)benzene-1,3-dicarboxylate
SMILESCOC(=O)c1cc(NC(=O)c2ccco2)cc(C(=O)OC)c1
InChIInChI=1S/C15H13NO6/c1-20-14(18)9-6-10(15(19)21-2)8-11(7-9)16-13(17)12-4-3-5-22-12/h3-8H,1-2H3,(H,16,17)
InChIKeyDNUWDNULJNLBHH-UHFFFAOYSA-N
MW303.27 g/mol
LogP2.11
Rot. Bonds4

About dimethyl 5-(furan-2-carbonylamino)benzene-1,3-dicarboxylate

dimethyl 5-(furan-2-carbonylamino)benzene-1,3-dicarboxylate (PubChem CID 711226) has the molecular formula C15H13NO6 and a molecular weight of 303.27 g/mol. Its IUPAC name is dimethyl 5-(furan-2-carbonylamino)benzene-1,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 5-(furan-2-carbonylamino)benzene-1,3-dicarboxylate
PubChem CID711226
Molecular FormulaC15H13NO6
Molecular Weight303.27 g/mol
Exact Mass303.07
IUPAC Namedimethyl 5-(furan-2-carbonylamino)benzene-1,3-dicarboxylate
SMILESCOC(=O)c1cc(NC(=O)c2ccco2)cc(C(=O)OC)c1
InChIInChI=1S/C15H13NO6/c1-20-14(18)9-6-10(15(19)21-2)8-11(7-9)16-13(17)12-4-3-5-22-12/h3-8H,1-2H3,(H,16,17)
InChIKeyDNUWDNULJNLBHH-UHFFFAOYSA-N
XLogP2.11
TPSA94.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.27
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-(furan-2-carbonylcarbamoylamino)benzoate
CID 2806361
methyl 3-(furan-2-carbonylamino)-5-[[(2-methoxybenzoyl)amino]methyl]benzoate
CID 26332211
N-[4-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 565232
methyl 3-amino-4-(furan-2-carbonylamino)benzoate
CID 110481051
methyl 4-[[4-(furan-2-carbonylamino)phenoxy]methyl]benzoate
CID 112787723
methyl 3-[[[2-(2-chloro-6-fluorophenyl)acetyl]amino]methyl]-5-(furan-2-carbonylamino)benzoate
CID 42370507
N-[4-(methylamino)phenyl]furan-2-carboxamide
CID 63091259
N-[3-[(3-acetamidophenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 27244358
dimethyl 5-[3-(furan-2-yl)propanoylamino]benzene-1,3-dicarboxylate
CID 26364910
N-[4-[(3-methoxybenzoyl)amino]phenyl]furan-2-carboxamide
CID 780805
N-(3-bromo-5-methylphenyl)furan-2-carboxamide
CID 110604733
N-[3-[(4-acetamidophenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 51179863

Frequently Asked Questions

What is the IUPAC name of dimethyl 5-(furan-2-carbonylamino)benzene-1,3-dicarboxylate?
The IUPAC name of dimethyl 5-(furan-2-carbonylamino)benzene-1,3-dicarboxylate (CID 711226) is dimethyl 5-(furan-2-carbonylamino)benzene-1,3-dicarboxylate.
What is the SMILES notation for dimethyl 5-(furan-2-carbonylamino)benzene-1,3-dicarboxylate?
The canonical SMILES for dimethyl 5-(furan-2-carbonylamino)benzene-1,3-dicarboxylate is COC(=O)c1cc(NC(=O)c2ccco2)cc(C(=O)OC)c1.
What is the InChIKey of dimethyl 5-(furan-2-carbonylamino)benzene-1,3-dicarboxylate?
The InChIKey is DNUWDNULJNLBHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO6/c1-20-14(18)9-6-10(15(19)21-2)8-11(7-9)16-13(17)12-4-3-5-22-12/h3-8H,1-2H3,(H,16,17).
What are the key properties of dimethyl 5-(furan-2-carbonylamino)benzene-1,3-dicarboxylate?
dimethyl 5-(furan-2-carbonylamino)benzene-1,3-dicarboxylate has a molecular weight of 303.27 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 5-(furan-2-carbonylamino)benzene-1,3-dicarboxylate is sourced from PubChem (CID 711226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).