4-hydroxy-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzamide

C13H12N2O3 — CID 5371180

IUPAC4-hydroxy-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzamide
SMILESCc1ccc(/C=N\NC(=O)c2ccc(O)cc2)o1
InChIInChI=1S/C13H12N2O3/c1-9-2-7-12(18-9)8-14-15-13(17)10-3-5-11(16)6-4-10/h2-8,16H,1H3,(H,15,17)/b14-8-
InChIKeyWKJYBNBNJAVELF-ZSOIEALJSA-N
MW244.25 g/mol
LogP2.06
Rot. Bonds3

About 4-hydroxy-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzamide

4-hydroxy-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzamide (PubChem CID 5371180) has the molecular formula C13H12N2O3 and a molecular weight of 244.25 g/mol. Its IUPAC name is 4-hydroxy-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-hydroxy-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzamide
PubChem CID5371180
Molecular FormulaC13H12N2O3
Molecular Weight244.25 g/mol
Exact Mass244.08
IUPAC Name4-hydroxy-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzamide
SMILESCc1ccc(/C=N\NC(=O)c2ccc(O)cc2)o1
InChIInChI=1S/C13H12N2O3/c1-9-2-7-12(18-9)8-14-15-13(17)10-3-5-11(16)6-4-10/h2-8,16H,1H3,(H,15,17)/b14-8-
InChIKeyWKJYBNBNJAVELF-ZSOIEALJSA-N
XLogP2.06
TPSA74.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-chloro-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzamide
CID 6870894
3,5-dihydroxy-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzamide
CID 5397422
4-acetamido-N-[(5-methylfuran-2-yl)methylideneamino]benzamide
CID 771334
4-ethoxy-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzamide
CID 6288022
6-methyl-N-[(5-methylfuran-2-yl)methylideneamino]pyridine-3-carboxamide
CID 677340
4-(cyclopropanecarbonylamino)-N-[(5-methylfuran-2-yl)methylideneamino]benzamide
CID 920980
1,3-bis[(E)-(5-methylfuran-2-yl)methylideneamino]urea
CID 177430726
4-hydroxy-N-[(Z)-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]benzamide
CID 9391276
4-hydroxy-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 172987811
4-hydroxy-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide;methanol
CID 139076899
4-(3-methylbutoxy)-N-[(5-methylfuran-2-yl)methylideneamino]benzamide
CID 4927427
4-hydroxy-N-[(4-methylphenyl)methylideneamino]benzamide
CID 789070

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzamide?
The IUPAC name of 4-hydroxy-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzamide (CID 5371180) is 4-hydroxy-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzamide.
What is the SMILES notation for 4-hydroxy-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzamide?
The canonical SMILES for 4-hydroxy-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzamide is Cc1ccc(/C=N\NC(=O)c2ccc(O)cc2)o1.
What is the InChIKey of 4-hydroxy-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzamide?
The InChIKey is WKJYBNBNJAVELF-ZSOIEALJSA-N. The full InChI is InChI=1S/C13H12N2O3/c1-9-2-7-12(18-9)8-14-15-13(17)10-3-5-11(16)6-4-10/h2-8,16H,1H3,(H,15,17)/b14-8-.
What are the key properties of 4-hydroxy-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzamide?
4-hydroxy-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzamide has a molecular weight of 244.25 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzamide is sourced from PubChem (CID 5371180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).