methyl 4-(furan-2-carbonylamino)benzoate

C13H11NO4 — CID 764313

IUPACmethyl 4-(furan-2-carbonylamino)benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C13H11NO4/c1-17-13(16)9-4-6-10(7-5-9)14-12(15)11-3-2-8-18-11/h2-8H,1H3,(H,14,15)
InChIKeyNMTSYEXYLBWACN-UHFFFAOYSA-N
MW245.23 g/mol
LogP2.32
Rot. Bonds3

About methyl 4-(furan-2-carbonylamino)benzoate

methyl 4-(furan-2-carbonylamino)benzoate (PubChem CID 764313) has the molecular formula C13H11NO4 and a molecular weight of 245.23 g/mol. Its IUPAC name is methyl 4-(furan-2-carbonylamino)benzoate.

Molecular Properties

Compound Namemethyl 4-(furan-2-carbonylamino)benzoate
PubChem CID764313
Molecular FormulaC13H11NO4
Molecular Weight245.23 g/mol
Exact Mass245.07
IUPAC Namemethyl 4-(furan-2-carbonylamino)benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C13H11NO4/c1-17-13(16)9-4-6-10(7-5-9)14-12(15)11-3-2-8-18-11/h2-8H,1H3,(H,14,15)
InChIKeyNMTSYEXYLBWACN-UHFFFAOYSA-N
XLogP2.32
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(furan-2-carbonylamino)benzoate?
The IUPAC name of methyl 4-(furan-2-carbonylamino)benzoate (CID 764313) is methyl 4-(furan-2-carbonylamino)benzoate.
What is the SMILES notation for methyl 4-(furan-2-carbonylamino)benzoate?
The canonical SMILES for methyl 4-(furan-2-carbonylamino)benzoate is COC(=O)c1ccc(NC(=O)c2ccco2)cc1.
What is the InChIKey of methyl 4-(furan-2-carbonylamino)benzoate?
The InChIKey is NMTSYEXYLBWACN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO4/c1-17-13(16)9-4-6-10(7-5-9)14-12(15)11-3-2-8-18-11/h2-8H,1H3,(H,14,15).
What are the key properties of methyl 4-(furan-2-carbonylamino)benzoate?
methyl 4-(furan-2-carbonylamino)benzoate has a molecular weight of 245.23 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(furan-2-carbonylamino)benzoate is sourced from PubChem (CID 764313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).