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

C13H10NO4- — CID 2225644

IUPAC2-[(2-methylfuran-3-carbonyl)amino]benzoate
SMILESCc1occc1C(=O)Nc1ccccc1C(=O)[O-]
InChIInChI=1S/C13H11NO4/c1-8-9(6-7-18-8)12(15)14-11-5-3-2-4-10(11)13(16)17/h2-7H,1H3,(H,14,15)(H,16,17)/p-1
InChIKeyMDRZZFBPVFJTIQ-UHFFFAOYSA-M
MW244.23 g/mol
LogP1.20
Rot. Bonds3

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

2-[(2-methylfuran-3-carbonyl)amino]benzoate (PubChem CID 2225644) has the molecular formula C13H10NO4- and a molecular weight of 244.23 g/mol. Its IUPAC name is 2-[(2-methylfuran-3-carbonyl)amino]benzoate.

Molecular Properties

Compound Name2-[(2-methylfuran-3-carbonyl)amino]benzoate
PubChem CID2225644
Molecular FormulaC13H10NO4-
Molecular Weight244.23 g/mol
Exact Mass244.06
IUPAC Name2-[(2-methylfuran-3-carbonyl)amino]benzoate
SMILESCc1occc1C(=O)Nc1ccccc1C(=O)[O-]
InChIInChI=1S/C13H11NO4/c1-8-9(6-7-18-8)12(15)14-11-5-3-2-4-10(11)13(16)17/h2-7H,1H3,(H,14,15)(H,16,17)/p-1
InChIKeyMDRZZFBPVFJTIQ-UHFFFAOYSA-M
XLogP1.20
TPSA82.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.23
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(2-methylfuran-3-carbonyl)amino]phenyl]boronic acid
CID 58664593
2-methyl-N-(2-methylsulfanylphenyl)furan-3-carboxamide
CID 1243990
2-methyl-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]furan-3-carboxamide
CID 17417413
sodium 2-acetamidobenzoate
CID 23702638
3-[(2-carboxylatobenzoyl)amino]-2-methylbenzoate
CID 9326527
zinc bis(2-benzamidobenzoate)
CID 67586546
N-(4-iodophenyl)-2-methylfuran-3-carboxamide
CID 903791
2-[(2,3-dimethylphenyl)carbamoyl]benzoate
CID 6950917
2-[2-[(2-methylphenyl)carbamoyl]phenyl]benzoate
CID 4052008
2-methyl-N-[2-[(1S,6R)-4-oxo-3,9-diazabicyclo[4.2.1]nonane-9-carbonyl]phenyl]furan-3-carboxamide
CID 50963154
2-[(3-methyl-1-benzofuran-2-carbonyl)amino]benzoate
CID 7463653
2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)furan-3-carboxamide
CID 80554325

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylfuran-3-carbonyl)amino]benzoate?
The IUPAC name of 2-[(2-methylfuran-3-carbonyl)amino]benzoate (CID 2225644) is 2-[(2-methylfuran-3-carbonyl)amino]benzoate.
What is the SMILES notation for 2-[(2-methylfuran-3-carbonyl)amino]benzoate?
The canonical SMILES for 2-[(2-methylfuran-3-carbonyl)amino]benzoate is Cc1occc1C(=O)Nc1ccccc1C(=O)[O-].
What is the InChIKey of 2-[(2-methylfuran-3-carbonyl)amino]benzoate?
The InChIKey is MDRZZFBPVFJTIQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H11NO4/c1-8-9(6-7-18-8)12(15)14-11-5-3-2-4-10(11)13(16)17/h2-7H,1H3,(H,14,15)(H,16,17)/p-1.
What are the key properties of 2-[(2-methylfuran-3-carbonyl)amino]benzoate?
2-[(2-methylfuran-3-carbonyl)amino]benzoate has a molecular weight of 244.23 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylfuran-3-carbonyl)amino]benzoate is sourced from PubChem (CID 2225644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).