2-iodo-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzamide

C13H11IN2O2 — CID 6898812

IUPAC2-iodo-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzamide
SMILESCc1ccc(/C=N/NC(=O)c2ccccc2I)o1
InChIInChI=1S/C13H11IN2O2/c1-9-6-7-10(18-9)8-15-16-13(17)11-4-2-3-5-12(11)14/h2-8H,1H3,(H,16,17)/b15-8+
InChIKeyCDGDAXUIIUMJMH-OVCLIPMQSA-N
MW354.15 g/mol
LogP2.96
Rot. Bonds3

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

2-iodo-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzamide (PubChem CID 6898812) has the molecular formula C13H11IN2O2 and a molecular weight of 354.15 g/mol. Its IUPAC name is 2-iodo-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name2-iodo-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzamide
PubChem CID6898812
Molecular FormulaC13H11IN2O2
Molecular Weight354.15 g/mol
Exact Mass353.99
IUPAC Name2-iodo-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzamide
SMILESCc1ccc(/C=N/NC(=O)c2ccccc2I)o1
InChIInChI=1S/C13H11IN2O2/c1-9-6-7-10(18-9)8-15-16-13(17)11-4-2-3-5-12(11)14/h2-8H,1H3,(H,16,17)/b15-8+
InChIKeyCDGDAXUIIUMJMH-OVCLIPMQSA-N
XLogP2.96
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.15
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzamide
CID 6907963
2-fluoro-N-[(5-methylfuran-2-yl)methylideneamino]benzamide
CID 757986
N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-2-propan-2-yloxybenzamide
CID 6266401
1,3-bis[(E)-(5-methylfuran-2-yl)methylideneamino]urea
CID 177430726
2-iodo-N-[(E)-(4-methoxyphenyl)methylideneamino]benzamide
CID 5379610
N-[(Z)-(5-methylfuran-2-yl)methylideneamino]thiophene-2-carboxamide
CID 5390300
1-ethyl-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-2-oxopyridine-3-carboxamide
CID 110523278
N-[(5-methylfuran-2-yl)methylideneamino]furan-2-carboxamide
CID 668435
4-hydroxy-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzamide
CID 5371180
2-amino-N-[(5-iodofuran-2-yl)methylideneamino]benzamide
CID 1355503
4-chloro-2-hydroxy-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzamide
CID 5412255
3,5-dihydroxy-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzamide
CID 5397422

Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzamide?
The IUPAC name of 2-iodo-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzamide (CID 6898812) is 2-iodo-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzamide.
What is the SMILES notation for 2-iodo-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzamide?
The canonical SMILES for 2-iodo-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzamide is Cc1ccc(/C=N/NC(=O)c2ccccc2I)o1.
What is the InChIKey of 2-iodo-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzamide?
The InChIKey is CDGDAXUIIUMJMH-OVCLIPMQSA-N. The full InChI is InChI=1S/C13H11IN2O2/c1-9-6-7-10(18-9)8-15-16-13(17)11-4-2-3-5-12(11)14/h2-8H,1H3,(H,16,17)/b15-8+.
What are the key properties of 2-iodo-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzamide?
2-iodo-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzamide has a molecular weight of 354.15 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzamide is sourced from PubChem (CID 6898812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).