N-[(E)-(5-methoxy-2,3-dihydroinden-1-ylidene)amino]benzamide

C17H16N2O2 — CID 5401104

IUPACN-[(E)-(5-methoxy-2,3-dihydroinden-1-ylidene)amino]benzamide
SMILESCOc1ccc2c(c1)CC/C2=N\NC(=O)c1ccccc1
InChIInChI=1S/C17H16N2O2/c1-21-14-8-9-15-13(11-14)7-10-16(15)18-19-17(20)12-5-3-2-4-6-12/h2-6,8-9,11H,7,10H2,1H3,(H,19,20)/b18-16+
InChIKeyTWUFMAPFVPTOQR-FBMGVBCBSA-N
MW280.33 g/mol
LogP2.78
Rot. Bonds3

About N-[(E)-(5-methoxy-2,3-dihydroinden-1-ylidene)amino]benzamide

N-[(E)-(5-methoxy-2,3-dihydroinden-1-ylidene)amino]benzamide (PubChem CID 5401104) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is N-[(E)-(5-methoxy-2,3-dihydroinden-1-ylidene)amino]benzamide.

Molecular Properties

Compound NameN-[(E)-(5-methoxy-2,3-dihydroinden-1-ylidene)amino]benzamide
PubChem CID5401104
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC NameN-[(E)-(5-methoxy-2,3-dihydroinden-1-ylidene)amino]benzamide
SMILESCOc1ccc2c(c1)CC/C2=N\NC(=O)c1ccccc1
InChIInChI=1S/C17H16N2O2/c1-21-14-8-9-15-13(11-14)7-10-16(15)18-19-17(20)12-5-3-2-4-6-12/h2-6,8-9,11H,7,10H2,1H3,(H,19,20)/b18-16+
InChIKeyTWUFMAPFVPTOQR-FBMGVBCBSA-N
XLogP2.78
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.78
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)-(5-methoxy-2,3-dihydroinden-1-ylidene)amino]benzamide?
The IUPAC name of N-[(E)-(5-methoxy-2,3-dihydroinden-1-ylidene)amino]benzamide (CID 5401104) is N-[(E)-(5-methoxy-2,3-dihydroinden-1-ylidene)amino]benzamide.
What is the SMILES notation for N-[(E)-(5-methoxy-2,3-dihydroinden-1-ylidene)amino]benzamide?
The canonical SMILES for N-[(E)-(5-methoxy-2,3-dihydroinden-1-ylidene)amino]benzamide is COc1ccc2c(c1)CC/C2=N\NC(=O)c1ccccc1.
What is the InChIKey of N-[(E)-(5-methoxy-2,3-dihydroinden-1-ylidene)amino]benzamide?
The InChIKey is TWUFMAPFVPTOQR-FBMGVBCBSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-21-14-8-9-15-13(11-14)7-10-16(15)18-19-17(20)12-5-3-2-4-6-12/h2-6,8-9,11H,7,10H2,1H3,(H,19,20)/b18-16+.
What are the key properties of N-[(E)-(5-methoxy-2,3-dihydroinden-1-ylidene)amino]benzamide?
N-[(E)-(5-methoxy-2,3-dihydroinden-1-ylidene)amino]benzamide has a molecular weight of 280.33 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(5-methoxy-2,3-dihydroinden-1-ylidene)amino]benzamide is sourced from PubChem (CID 5401104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).