2-(furan-2-carbonylamino)-4,5-dimethoxybenzoic acid

C14H13NO6 — CID 717927

IUPAC2-(furan-2-carbonylamino)-4,5-dimethoxybenzoic acid
SMILESCOc1cc(NC(=O)c2ccco2)c(C(=O)O)cc1OC
InChIInChI=1S/C14H13NO6/c1-19-11-6-8(14(17)18)9(7-12(11)20-2)15-13(16)10-4-3-5-21-10/h3-7H,1-2H3,(H,15,16)(H,17,18)
InChIKeyKZLNQJXZHDOUIA-UHFFFAOYSA-N
MW291.26 g/mol
LogP2.25
Rot. Bonds5

About 2-(furan-2-carbonylamino)-4,5-dimethoxybenzoic acid

2-(furan-2-carbonylamino)-4,5-dimethoxybenzoic acid (PubChem CID 717927) has the molecular formula C14H13NO6 and a molecular weight of 291.26 g/mol. Its IUPAC name is 2-(furan-2-carbonylamino)-4,5-dimethoxybenzoic acid.

Molecular Properties

Compound Name2-(furan-2-carbonylamino)-4,5-dimethoxybenzoic acid
PubChem CID717927
Molecular FormulaC14H13NO6
Molecular Weight291.26 g/mol
Exact Mass291.07
IUPAC Name2-(furan-2-carbonylamino)-4,5-dimethoxybenzoic acid
SMILESCOc1cc(NC(=O)c2ccco2)c(C(=O)O)cc1OC
InChIInChI=1S/C14H13NO6/c1-19-11-6-8(14(17)18)9(7-12(11)20-2)15-13(16)10-4-3-5-21-10/h3-7H,1-2H3,(H,15,16)(H,17,18)
InChIKeyKZLNQJXZHDOUIA-UHFFFAOYSA-N
XLogP2.25
TPSA98.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.26
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(Furan-2-carbonyl)-amino]-benzoic acid
CID 722854
Avenanthramide 2
CID 101228785
4,5-dimethoxy-2-[[(E)-3-phenylprop-2-enoyl]amino]benzoic acid
CID 804546
2-[(4,5-Dimethyl-furan-2-carbonyl)-amino]-benzoic acid
CID 823604
6-(Cyclopentanecarbonylamino)-2,3-dihydro-1,4-benzodioxine-7-carboxylic acid
CID 8902909
Methyl 4,5-dimethoxy-2-[(4-methoxybenzoyl)amino]benzoate
CID 584792
N-(2-cyano-4,5-diethoxyphenyl)furan-2-carboxamide
CID 711856
Methyl 2-(5-((3,4-dimethylphenoxy)methyl)furan-2-carboxamido)benzoate
CID 1269690
Methyl 2-({5-[(3,5-dimethylphenoxy)methyl]-2-furoyl}amino)benzoate
CID 1269693
Ethyl 2-[(3,4-dimethoxybenzoyl)amino]-4,5-dimethoxybenzoate
CID 44367760
Methyl 2-benzamido-4,5-dimethoxybenzoate
CID 717865
2-Cyclopropaneamido-4,5-dimethoxybenzoic acid
CID 804602

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-carbonylamino)-4,5-dimethoxybenzoic acid?
The IUPAC name of 2-(furan-2-carbonylamino)-4,5-dimethoxybenzoic acid (CID 717927) is 2-(furan-2-carbonylamino)-4,5-dimethoxybenzoic acid.
What is the SMILES notation for 2-(furan-2-carbonylamino)-4,5-dimethoxybenzoic acid?
The canonical SMILES for 2-(furan-2-carbonylamino)-4,5-dimethoxybenzoic acid is COc1cc(NC(=O)c2ccco2)c(C(=O)O)cc1OC.
What is the InChIKey of 2-(furan-2-carbonylamino)-4,5-dimethoxybenzoic acid?
The InChIKey is KZLNQJXZHDOUIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO6/c1-19-11-6-8(14(17)18)9(7-12(11)20-2)15-13(16)10-4-3-5-21-10/h3-7H,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 2-(furan-2-carbonylamino)-4,5-dimethoxybenzoic acid?
2-(furan-2-carbonylamino)-4,5-dimethoxybenzoic acid has a molecular weight of 291.26 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-carbonylamino)-4,5-dimethoxybenzoic acid is sourced from PubChem (CID 717927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).