N-[(E)-furan-2-ylmethylideneamino]benzamide

C12H10N2O2 — CID 5339441

IUPACN-[(E)-furan-2-ylmethylideneamino]benzamide
SMILESO=C(N/N=C/c1ccco1)c1ccccc1
InChIInChI=1S/C12H10N2O2/c15-12(10-5-2-1-3-6-10)14-13-9-11-7-4-8-16-11/h1-9H,(H,14,15)/b13-9+
InChIKeyFLSCWWXUVAYOLY-UKTHLTGXSA-N
MW214.22 g/mol
LogP2.04
Rot. Bonds3

About N-[(E)-furan-2-ylmethylideneamino]benzamide

N-[(E)-furan-2-ylmethylideneamino]benzamide (PubChem CID 5339441) has the molecular formula C12H10N2O2 and a molecular weight of 214.22 g/mol. Its IUPAC name is N-[(E)-furan-2-ylmethylideneamino]benzamide.

Molecular Properties

Compound NameN-[(E)-furan-2-ylmethylideneamino]benzamide
PubChem CID5339441
Molecular FormulaC12H10N2O2
Molecular Weight214.22 g/mol
Exact Mass214.07
IUPAC NameN-[(E)-furan-2-ylmethylideneamino]benzamide
SMILESO=C(N/N=C/c1ccco1)c1ccccc1
InChIInChI=1S/C12H10N2O2/c15-12(10-5-2-1-3-6-10)14-13-9-11-7-4-8-16-11/h1-9H,(H,14,15)/b13-9+
InChIKeyFLSCWWXUVAYOLY-UKTHLTGXSA-N
XLogP2.04
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-furan-2-ylmethylideneamino]benzamide?
The IUPAC name of N-[(E)-furan-2-ylmethylideneamino]benzamide (CID 5339441) is N-[(E)-furan-2-ylmethylideneamino]benzamide.
What is the SMILES notation for N-[(E)-furan-2-ylmethylideneamino]benzamide?
The canonical SMILES for N-[(E)-furan-2-ylmethylideneamino]benzamide is O=C(N/N=C/c1ccco1)c1ccccc1.
What is the InChIKey of N-[(E)-furan-2-ylmethylideneamino]benzamide?
The InChIKey is FLSCWWXUVAYOLY-UKTHLTGXSA-N. The full InChI is InChI=1S/C12H10N2O2/c15-12(10-5-2-1-3-6-10)14-13-9-11-7-4-8-16-11/h1-9H,(H,14,15)/b13-9+.
What are the key properties of N-[(E)-furan-2-ylmethylideneamino]benzamide?
N-[(E)-furan-2-ylmethylideneamino]benzamide has a molecular weight of 214.22 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-furan-2-ylmethylideneamino]benzamide is sourced from PubChem (CID 5339441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).