3,5-dihydroxy-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzamide

C13H12N2O4 — CID 5397422

IUPAC3,5-dihydroxy-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzamide
SMILESCc1ccc(/C=N\NC(=O)c2cc(O)cc(O)c2)o1
InChIInChI=1S/C13H12N2O4/c1-8-2-3-12(19-8)7-14-15-13(18)9-4-10(16)6-11(17)5-9/h2-7,16-17H,1H3,(H,15,18)/b14-7-
InChIKeyPQXWMLILBGRAAS-AUWJEWJLSA-N
MW260.25 g/mol
LogP1.76
Rot. Bonds3

About 3,5-dihydroxy-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzamide

3,5-dihydroxy-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzamide (PubChem CID 5397422) has the molecular formula C13H12N2O4 and a molecular weight of 260.25 g/mol. Its IUPAC name is 3,5-dihydroxy-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name3,5-dihydroxy-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzamide
PubChem CID5397422
Molecular FormulaC13H12N2O4
Molecular Weight260.25 g/mol
Exact Mass260.08
IUPAC Name3,5-dihydroxy-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzamide
SMILESCc1ccc(/C=N\NC(=O)c2cc(O)cc(O)c2)o1
InChIInChI=1S/C13H12N2O4/c1-8-2-3-12(19-8)7-14-15-13(18)9-4-10(16)6-11(17)5-9/h2-7,16-17H,1H3,(H,15,18)/b14-7-
InChIKeyPQXWMLILBGRAAS-AUWJEWJLSA-N
XLogP1.76
TPSA95.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-hydroxy-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzamide
CID 5371180
4-chloro-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzamide
CID 6870894
4-acetamido-N-[(5-methylfuran-2-yl)methylideneamino]benzamide
CID 771334
3-chloro-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzamide
CID 5404639
1,3-bis[(E)-(5-methylfuran-2-yl)methylideneamino]urea
CID 177430726
6-methyl-N-[(5-methylfuran-2-yl)methylideneamino]pyridine-3-carboxamide
CID 677340
4-ethoxy-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzamide
CID 6288022
4-chloro-2-hydroxy-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzamide
CID 5412255
N-[(Z)-benzylideneamino]-3,5-dihydroxybenzamide
CID 170181665
N-[(5-methylfuran-2-yl)methylideneamino]furan-2-carboxamide
CID 668435
N-[(5-methylfuran-2-yl)methylideneamino]-3H-benzimidazole-5-carboxamide
CID 947650
4-(cyclopropanecarbonylamino)-N-[(5-methylfuran-2-yl)methylideneamino]benzamide
CID 920980

Frequently Asked Questions

What is the IUPAC name of 3,5-dihydroxy-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzamide?
The IUPAC name of 3,5-dihydroxy-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzamide (CID 5397422) is 3,5-dihydroxy-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzamide.
What is the SMILES notation for 3,5-dihydroxy-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzamide?
The canonical SMILES for 3,5-dihydroxy-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzamide is Cc1ccc(/C=N\NC(=O)c2cc(O)cc(O)c2)o1.
What is the InChIKey of 3,5-dihydroxy-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzamide?
The InChIKey is PQXWMLILBGRAAS-AUWJEWJLSA-N. The full InChI is InChI=1S/C13H12N2O4/c1-8-2-3-12(19-8)7-14-15-13(18)9-4-10(16)6-11(17)5-9/h2-7,16-17H,1H3,(H,15,18)/b14-7-.
What are the key properties of 3,5-dihydroxy-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzamide?
3,5-dihydroxy-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzamide has a molecular weight of 260.25 g/mol, XLogP of 1.76, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dihydroxy-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzamide is sourced from PubChem (CID 5397422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).