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

C13H12N2O2 — CID 794816

IUPAC4-[(5-methylfuran-2-yl)methylideneamino]benzamide
SMILESCc1ccc(/C=N/c2ccc(C(N)=O)cc2)o1
InChIInChI=1S/C13H12N2O2/c1-9-2-7-12(17-9)8-15-11-5-3-10(4-6-11)13(14)16/h2-8H,1H3,(H2,14,16)/b15-8+
InChIKeyFCRRFLOGIPEVND-OVCLIPMQSA-N
MW228.25 g/mol
LogP2.44
Rot. Bonds3

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

4-[(5-methylfuran-2-yl)methylideneamino]benzamide (PubChem CID 794816) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is 4-[(5-methylfuran-2-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-[(5-methylfuran-2-yl)methylideneamino]benzamide
PubChem CID794816
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC Name4-[(5-methylfuran-2-yl)methylideneamino]benzamide
SMILESCc1ccc(/C=N/c2ccc(C(N)=O)cc2)o1
InChIInChI=1S/C13H12N2O2/c1-9-2-7-12(17-9)8-15-11-5-3-10(4-6-11)13(14)16/h2-8H,1H3,(H2,14,16)/b15-8+
InChIKeyFCRRFLOGIPEVND-OVCLIPMQSA-N
XLogP2.44
TPSA68.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(5-methylfuran-2-yl)methylideneamino]phenol
CID 793223
4-[(5-methylfuran-2-yl)methylideneamino]benzenesulfonamide
CID 794729
4-[5-[(4-acetamidophenyl)iminomethyl]furan-2-yl]benzamide
CID 50885342
4-[(2-methylphenyl)methylideneamino]benzamide
CID 969218
4-[(4-propan-2-ylphenyl)methylideneamino]benzamide
CID 1240043
2-[(Z)-(5-methylfuran-2-yl)methylideneamino]guanidine
CID 71670100
1,3-bis[(E)-(5-methylfuran-2-yl)methylideneamino]urea
CID 177430726
4-hydroxy-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzamide
CID 5371180
4-[5-[(E)-hydroxyiminomethyl]furan-2-yl]benzamide
CID 50885343
4-chloro-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzamide
CID 6870894
N'-[(E)-(5-methylfuran-2-yl)methylideneamino]benzenecarboximidamide
CID 22610708
[(5-methylfuran-2-yl)methylideneamino]thiourea
CID 711000

Frequently Asked Questions

What is the IUPAC name of 4-[(5-methylfuran-2-yl)methylideneamino]benzamide?
The IUPAC name of 4-[(5-methylfuran-2-yl)methylideneamino]benzamide (CID 794816) is 4-[(5-methylfuran-2-yl)methylideneamino]benzamide.
What is the SMILES notation for 4-[(5-methylfuran-2-yl)methylideneamino]benzamide?
The canonical SMILES for 4-[(5-methylfuran-2-yl)methylideneamino]benzamide is Cc1ccc(/C=N/c2ccc(C(N)=O)cc2)o1.
What is the InChIKey of 4-[(5-methylfuran-2-yl)methylideneamino]benzamide?
The InChIKey is FCRRFLOGIPEVND-OVCLIPMQSA-N. The full InChI is InChI=1S/C13H12N2O2/c1-9-2-7-12(17-9)8-15-11-5-3-10(4-6-11)13(14)16/h2-8H,1H3,(H2,14,16)/b15-8+.
What are the key properties of 4-[(5-methylfuran-2-yl)methylideneamino]benzamide?
4-[(5-methylfuran-2-yl)methylideneamino]benzamide has a molecular weight of 228.25 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methylfuran-2-yl)methylideneamino]benzamide is sourced from PubChem (CID 794816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).