methyl 4-[(5-aminofuran-2-carbonyl)amino]benzoate

C13H12N2O4 — CID 82344340

IUPACmethyl 4-[(5-aminofuran-2-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2ccc(N)o2)cc1
InChIInChI=1S/C13H12N2O4/c1-18-13(17)8-2-4-9(5-3-8)15-12(16)10-6-7-11(14)19-10/h2-7H,14H2,1H3,(H,15,16)
InChIKeyLUGIUQZENIPDIP-UHFFFAOYSA-N
MW260.25 g/mol
LogP1.90
Rot. Bonds3

About methyl 4-[(5-aminofuran-2-carbonyl)amino]benzoate

methyl 4-[(5-aminofuran-2-carbonyl)amino]benzoate (PubChem CID 82344340) has the molecular formula C13H12N2O4 and a molecular weight of 260.25 g/mol. Its IUPAC name is methyl 4-[(5-aminofuran-2-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[(5-aminofuran-2-carbonyl)amino]benzoate
PubChem CID82344340
Molecular FormulaC13H12N2O4
Molecular Weight260.25 g/mol
Exact Mass260.08
IUPAC Namemethyl 4-[(5-aminofuran-2-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2ccc(N)o2)cc1
InChIInChI=1S/C13H12N2O4/c1-18-13(17)8-2-4-9(5-3-8)15-12(16)10-6-7-11(14)19-10/h2-7H,14H2,1H3,(H,15,16)
InChIKeyLUGIUQZENIPDIP-UHFFFAOYSA-N
XLogP1.90
TPSA94.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetamidophenyl)-5-aminofuran-2-carboxamide
CID 82344374
5-amino-N-(4-butylphenyl)furan-2-carboxamide
CID 82344263
5-amino-N-(4-octylphenyl)furan-2-carboxamide
CID 142608726
5-amino-N-(3-chloro-4-methoxyphenyl)furan-2-carboxamide
CID 82344272
methyl 4-[(2,4,5-trimethylfuran-3-carbonyl)amino]benzoate
CID 26720131
methyl 4-[(4-carbamoylbenzoyl)amino]benzoate
CID 30845691
methyl 4-[(4-carbamoylphenyl)carbamoyl]benzoate
CID 5085217
methyl 4-[(5-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)amino]benzoate
CID 46547480
5-amino-N-(4-hexoxyphenyl)furan-2-carboxamide
CID 82344339
ethyl 4-[(5-bromofuran-2-carbonyl)amino]benzoate
CID 703718
methyl 4-[[4-[(4-hydroxyphenyl)carbamoyl]phenyl]carbamoyl]benzoate
CID 3353390
propyl 4-[[5-(4-chlorophenyl)furan-2-carbonyl]amino]benzoate
CID 23938061

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(5-aminofuran-2-carbonyl)amino]benzoate?
The IUPAC name of methyl 4-[(5-aminofuran-2-carbonyl)amino]benzoate (CID 82344340) is methyl 4-[(5-aminofuran-2-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 4-[(5-aminofuran-2-carbonyl)amino]benzoate?
The canonical SMILES for methyl 4-[(5-aminofuran-2-carbonyl)amino]benzoate is COC(=O)c1ccc(NC(=O)c2ccc(N)o2)cc1.
What is the InChIKey of methyl 4-[(5-aminofuran-2-carbonyl)amino]benzoate?
The InChIKey is LUGIUQZENIPDIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O4/c1-18-13(17)8-2-4-9(5-3-8)15-12(16)10-6-7-11(14)19-10/h2-7H,14H2,1H3,(H,15,16).
What are the key properties of methyl 4-[(5-aminofuran-2-carbonyl)amino]benzoate?
methyl 4-[(5-aminofuran-2-carbonyl)amino]benzoate has a molecular weight of 260.25 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(5-aminofuran-2-carbonyl)amino]benzoate is sourced from PubChem (CID 82344340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).