methyl 2-[(2-methylfuran-3-carbonyl)amino]benzoate

C14H13NO4 — CID 680867

IUPACmethyl 2-[(2-methylfuran-3-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1ccoc1C
InChIInChI=1S/C14H13NO4/c1-9-10(7-8-19-9)13(16)15-12-6-4-3-5-11(12)14(17)18-2/h3-8H,1-2H3,(H,15,16)
InChIKeyKYWMKPQHDFTYPP-UHFFFAOYSA-N
MW259.26 g/mol
LogP2.63
Rot. Bonds3

About methyl 2-[(2-methylfuran-3-carbonyl)amino]benzoate

methyl 2-[(2-methylfuran-3-carbonyl)amino]benzoate (PubChem CID 680867) has the molecular formula C14H13NO4 and a molecular weight of 259.26 g/mol. Its IUPAC name is methyl 2-[(2-methylfuran-3-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[(2-methylfuran-3-carbonyl)amino]benzoate
PubChem CID680867
Molecular FormulaC14H13NO4
Molecular Weight259.26 g/mol
Exact Mass259.08
IUPAC Namemethyl 2-[(2-methylfuran-3-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1ccoc1C
InChIInChI=1S/C14H13NO4/c1-9-10(7-8-19-9)13(16)15-12-6-4-3-5-11(12)14(17)18-2/h3-8H,1-2H3,(H,15,16)
InChIKeyKYWMKPQHDFTYPP-UHFFFAOYSA-N
XLogP2.63
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-methylfuran-3-carbonyl)amino]benzoate?
The IUPAC name of methyl 2-[(2-methylfuran-3-carbonyl)amino]benzoate (CID 680867) is methyl 2-[(2-methylfuran-3-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 2-[(2-methylfuran-3-carbonyl)amino]benzoate?
The canonical SMILES for methyl 2-[(2-methylfuran-3-carbonyl)amino]benzoate is COC(=O)c1ccccc1NC(=O)c1ccoc1C.
What is the InChIKey of methyl 2-[(2-methylfuran-3-carbonyl)amino]benzoate?
The InChIKey is KYWMKPQHDFTYPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO4/c1-9-10(7-8-19-9)13(16)15-12-6-4-3-5-11(12)14(17)18-2/h3-8H,1-2H3,(H,15,16).
What are the key properties of methyl 2-[(2-methylfuran-3-carbonyl)amino]benzoate?
methyl 2-[(2-methylfuran-3-carbonyl)amino]benzoate has a molecular weight of 259.26 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-methylfuran-3-carbonyl)amino]benzoate is sourced from PubChem (CID 680867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).