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

C13H12N2O2 — CID 577583

IUPAC2-[(5-methylfuran-2-yl)methylideneamino]benzamide
SMILESCc1ccc(/C=N/c2ccccc2C(N)=O)o1
InChIInChI=1S/C13H12N2O2/c1-9-6-7-10(17-9)8-15-12-5-3-2-4-11(12)13(14)16/h2-8H,1H3,(H2,14,16)/b15-8+
InChIKeyIXOVSGOKJAQICE-OVCLIPMQSA-N
MW228.25 g/mol
LogP2.44
Rot. Bonds3

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

2-[(5-methylfuran-2-yl)methylideneamino]benzamide (PubChem CID 577583) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is 2-[(5-methylfuran-2-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name2-[(5-methylfuran-2-yl)methylideneamino]benzamide
PubChem CID577583
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC Name2-[(5-methylfuran-2-yl)methylideneamino]benzamide
SMILESCc1ccc(/C=N/c2ccccc2C(N)=O)o1
InChIInChI=1S/C13H12N2O2/c1-9-6-7-10(17-9)8-15-12-5-3-2-4-11(12)13(14)16/h2-8H,1H3,(H2,14,16)/b15-8+
InChIKeyIXOVSGOKJAQICE-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

3-[(E)-furan-2-ylmethylideneamino]-2-methylquinazolin-4-one
CID 5344841
2-{[(2E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino}benzamide
CID 712939
N-Furfurylidene-M-toluidine
CID 5046711
(Z)-2-methyl-N-((5-methylfuran-2-yl)methylene)aniline oxide
CID 5890581
2-methyl-3-[(E)-(5-methylfuran-2-yl)methylideneamino]quinazolin-4-one
CID 6903280
Benzoic acid, 2-[(2-furanylmethylene)amino]-
CID 690980
N-furfurylidene-p-toluidine
CID 899953
N-Methylanthranilic furfurylidenehydrazide
CID 9623776
N-(2-furanylmethylene)-2,6-dimethylbenzenamine
CID 3016834
3-(Trifluoromethyl)-N-(5-methylfurfurylidene)aniline
CID 4134232
N-[(E)-furan-2-ylmethylidene]-2-methylaniline
CID 684233
2-[(5-Nitrofuran-2-yl)methylideneamino]benzamide
CID 693602

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methylfuran-2-yl)methylideneamino]benzamide?
The IUPAC name of 2-[(5-methylfuran-2-yl)methylideneamino]benzamide (CID 577583) is 2-[(5-methylfuran-2-yl)methylideneamino]benzamide.
What is the SMILES notation for 2-[(5-methylfuran-2-yl)methylideneamino]benzamide?
The canonical SMILES for 2-[(5-methylfuran-2-yl)methylideneamino]benzamide is Cc1ccc(/C=N/c2ccccc2C(N)=O)o1.
What is the InChIKey of 2-[(5-methylfuran-2-yl)methylideneamino]benzamide?
The InChIKey is IXOVSGOKJAQICE-OVCLIPMQSA-N. The full InChI is InChI=1S/C13H12N2O2/c1-9-6-7-10(17-9)8-15-12-5-3-2-4-11(12)13(14)16/h2-8H,1H3,(H2,14,16)/b15-8+.
What are the key properties of 2-[(5-methylfuran-2-yl)methylideneamino]benzamide?
2-[(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 2-[(5-methylfuran-2-yl)methylideneamino]benzamide is sourced from PubChem (CID 577583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).