methyl 3-[(4-methylfuran-2-carbonyl)amino]benzoate

C14H13NO4 — CID 110861662

IUPACmethyl 3-[(4-methylfuran-2-carbonyl)amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)c2cc(C)co2)c1
InChIInChI=1S/C14H13NO4/c1-9-6-12(19-8-9)13(16)15-11-5-3-4-10(7-11)14(17)18-2/h3-8H,1-2H3,(H,15,16)
InChIKeyAAOBVMMVAWKOQA-UHFFFAOYSA-N
MW259.26 g/mol
LogP2.63
Rot. Bonds3

About methyl 3-[(4-methylfuran-2-carbonyl)amino]benzoate

methyl 3-[(4-methylfuran-2-carbonyl)amino]benzoate (PubChem CID 110861662) has the molecular formula C14H13NO4 and a molecular weight of 259.26 g/mol. Its IUPAC name is methyl 3-[(4-methylfuran-2-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[(4-methylfuran-2-carbonyl)amino]benzoate
PubChem CID110861662
Molecular FormulaC14H13NO4
Molecular Weight259.26 g/mol
Exact Mass259.08
IUPAC Namemethyl 3-[(4-methylfuran-2-carbonyl)amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)c2cc(C)co2)c1
InChIInChI=1S/C14H13NO4/c1-9-6-12(19-8-9)13(16)15-11-5-3-4-10(7-11)14(17)18-2/h3-8H,1-2H3,(H,15,16)
InChIKeyAAOBVMMVAWKOQA-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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Related Compounds

methyl 3-[(5-chlorofuran-2-carbonyl)amino]benzoate
CID 34059859
methyl 3-[(4-methyl-1,2-oxazole-3-carbonyl)amino]benzoate
CID 110861628
methyl 3-[(4-methylpyridine-2-carbonyl)amino]benzoate
CID 110861657
methyl 3-(furan-2-carbonylcarbamoylamino)benzoate
CID 2806361
methyl 3-(carbamoylamino)benzoate
CID 2822841
N-(4-acetamidophenyl)-4-methylfuran-2-carboxamide
CID 110861468
methyl 3-[(2,5-dimethylthiophene-3-carbonyl)amino]benzoate
CID 17417091
methyl 3-[[3-(chloromethyl)benzoyl]amino]benzoate
CID 43346811
2-[(3-methoxycarbonylphenyl)carbamoyl]benzoic acid
CID 746419
methyl 3-[(2-anilino-2-oxoacetyl)amino]benzoate
CID 108986708
3-[(4-methoxycarbonylbenzoyl)amino]benzoic acid
CID 45425987
methyl 3-[(2-benzoylbenzoyl)amino]benzoate
CID 26922776

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(4-methylfuran-2-carbonyl)amino]benzoate?
The IUPAC name of methyl 3-[(4-methylfuran-2-carbonyl)amino]benzoate (CID 110861662) is methyl 3-[(4-methylfuran-2-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 3-[(4-methylfuran-2-carbonyl)amino]benzoate?
The canonical SMILES for methyl 3-[(4-methylfuran-2-carbonyl)amino]benzoate is COC(=O)c1cccc(NC(=O)c2cc(C)co2)c1.
What is the InChIKey of methyl 3-[(4-methylfuran-2-carbonyl)amino]benzoate?
The InChIKey is AAOBVMMVAWKOQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO4/c1-9-6-12(19-8-9)13(16)15-11-5-3-4-10(7-11)14(17)18-2/h3-8H,1-2H3,(H,15,16).
What are the key properties of methyl 3-[(4-methylfuran-2-carbonyl)amino]benzoate?
methyl 3-[(4-methylfuran-2-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 3-[(4-methylfuran-2-carbonyl)amino]benzoate is sourced from PubChem (CID 110861662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).