2-[[(2-methylfuran-3-carbonyl)amino]carbamoyl]benzoic acid

C14H12N2O5 — CID 833083

IUPAC2-[[(2-methylfuran-3-carbonyl)amino]carbamoyl]benzoic acid
SMILESCc1occc1C(=O)NNC(=O)c1ccccc1C(=O)O
InChIInChI=1S/C14H12N2O5/c1-8-9(6-7-21-8)12(17)15-16-13(18)10-4-2-3-5-11(10)14(19)20/h2-7H,1H3,(H,15,17)(H,16,18)(H,19,20)
InChIKeyDAPQOFOONJAORS-UHFFFAOYSA-N
MW288.26 g/mol
LogP1.36
Rot. Bonds3

About 2-[[(2-methylfuran-3-carbonyl)amino]carbamoyl]benzoic acid

2-[[(2-methylfuran-3-carbonyl)amino]carbamoyl]benzoic acid (PubChem CID 833083) has the molecular formula C14H12N2O5 and a molecular weight of 288.26 g/mol. Its IUPAC name is 2-[[(2-methylfuran-3-carbonyl)amino]carbamoyl]benzoic acid.

Molecular Properties

Compound Name2-[[(2-methylfuran-3-carbonyl)amino]carbamoyl]benzoic acid
PubChem CID833083
Molecular FormulaC14H12N2O5
Molecular Weight288.26 g/mol
Exact Mass288.07
IUPAC Name2-[[(2-methylfuran-3-carbonyl)amino]carbamoyl]benzoic acid
SMILESCc1occc1C(=O)NNC(=O)c1ccccc1C(=O)O
InChIInChI=1S/C14H12N2O5/c1-8-9(6-7-21-8)12(17)15-16-13(18)10-4-2-3-5-11(10)14(19)20/h2-7H,1H3,(H,15,17)(H,16,18)(H,19,20)
InChIKeyDAPQOFOONJAORS-UHFFFAOYSA-N
XLogP1.36
TPSA108.64 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.26
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(2-fluorobenzoyl)-2-methyl-3-furohydrazide
CID 2223043
2-[[3-(4-propan-2-yloxyphenyl)propanoylamino]carbamoyl]benzoic Acid
CID 1983514
2,5-dimethyl-N'-(2-phenylpentanoyl)furan-3-carbohydrazide
CID 4355478
N'-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]-2,5-dimethylfuran-3-carbohydrazide
CID 9468210
4-Fluoro-benzoic acid N'-(2-methyl-furan-3-carbonyl)-hydrazide
CID 772287
2-methyl-N'-(phenylacetyl)-3-furohydrazide
CID 833135
Cyclohexanecarboxylic acid N'-(2-methyl-furan-3-carbonyl)-hydrazide
CID 846329
2-[N'-(4-Isopropoxy-benzoyl)-hydrazinocarbonyl]-benzoic acid
CID 929530
N'-(2-hydroxybenzoyl)-2-methylfuran-3-carbohydrazide
CID 24285123
N'-(2-hydroxy-4-methoxybenzoyl)-2-methylfuran-3-carbohydrazide
CID 32724950
N'-(5-chloro-2-hydroxybenzoyl)-2-methylfuran-3-carbohydrazide
CID 41584958
2-methyl-N'-[2-(2-methylphenoxy)acetyl]furan-3-carbohydrazide
CID 932497

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-methylfuran-3-carbonyl)amino]carbamoyl]benzoic acid?
The IUPAC name of 2-[[(2-methylfuran-3-carbonyl)amino]carbamoyl]benzoic acid (CID 833083) is 2-[[(2-methylfuran-3-carbonyl)amino]carbamoyl]benzoic acid.
What is the SMILES notation for 2-[[(2-methylfuran-3-carbonyl)amino]carbamoyl]benzoic acid?
The canonical SMILES for 2-[[(2-methylfuran-3-carbonyl)amino]carbamoyl]benzoic acid is Cc1occc1C(=O)NNC(=O)c1ccccc1C(=O)O.
What is the InChIKey of 2-[[(2-methylfuran-3-carbonyl)amino]carbamoyl]benzoic acid?
The InChIKey is DAPQOFOONJAORS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O5/c1-8-9(6-7-21-8)12(17)15-16-13(18)10-4-2-3-5-11(10)14(19)20/h2-7H,1H3,(H,15,17)(H,16,18)(H,19,20).
What are the key properties of 2-[[(2-methylfuran-3-carbonyl)amino]carbamoyl]benzoic acid?
2-[[(2-methylfuran-3-carbonyl)amino]carbamoyl]benzoic acid has a molecular weight of 288.26 g/mol, XLogP of 1.36, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-methylfuran-3-carbonyl)amino]carbamoyl]benzoic acid is sourced from PubChem (CID 833083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).