4-acetamido-N-[(E)-2-bicyclo[2.2.1]hept-5-enylmethylideneamino]benzamide

C17H19N3O2 — CID 46501354

IUPAC4-acetamido-N-[(E)-2-bicyclo[2.2.1]hept-5-enylmethylideneamino]benzamide
SMILESCC(=O)Nc1ccc(C(=O)N/N=C/C2CC3C=CC2C3)cc1
InChIInChI=1S/C17H19N3O2/c1-11(21)19-16-6-4-13(5-7-16)17(22)20-18-10-15-9-12-2-3-14(15)8-12/h2-7,10,12,14-15H,8-9H2,1H3,(H,19,21)(H,20,22)/b18-10+
InChIKeyRNUGHKFUMQCWGJ-VCHYOVAHSA-N
MW297.36 g/mol
LogP2.57
Rot. Bonds4

About 4-acetamido-N-[(E)-2-bicyclo[2.2.1]hept-5-enylmethylideneamino]benzamide

4-acetamido-N-[(E)-2-bicyclo[2.2.1]hept-5-enylmethylideneamino]benzamide (PubChem CID 46501354) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 4-acetamido-N-[(E)-2-bicyclo[2.2.1]hept-5-enylmethylideneamino]benzamide.

Molecular Properties

Compound Name4-acetamido-N-[(E)-2-bicyclo[2.2.1]hept-5-enylmethylideneamino]benzamide
PubChem CID46501354
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name4-acetamido-N-[(E)-2-bicyclo[2.2.1]hept-5-enylmethylideneamino]benzamide
SMILESCC(=O)Nc1ccc(C(=O)N/N=C/C2CC3C=CC2C3)cc1
InChIInChI=1S/C17H19N3O2/c1-11(21)19-16-6-4-13(5-7-16)17(22)20-18-10-15-9-12-2-3-14(15)8-12/h2-7,10,12,14-15H,8-9H2,1H3,(H,19,21)(H,20,22)/b18-10+
InChIKeyRNUGHKFUMQCWGJ-VCHYOVAHSA-N
XLogP2.57
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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 4-acetamido-N-[(E)-2-bicyclo[2.2.1]hept-5-enylmethylideneamino]benzamide?
The IUPAC name of 4-acetamido-N-[(E)-2-bicyclo[2.2.1]hept-5-enylmethylideneamino]benzamide (CID 46501354) is 4-acetamido-N-[(E)-2-bicyclo[2.2.1]hept-5-enylmethylideneamino]benzamide.
What is the SMILES notation for 4-acetamido-N-[(E)-2-bicyclo[2.2.1]hept-5-enylmethylideneamino]benzamide?
The canonical SMILES for 4-acetamido-N-[(E)-2-bicyclo[2.2.1]hept-5-enylmethylideneamino]benzamide is CC(=O)Nc1ccc(C(=O)N/N=C/C2CC3C=CC2C3)cc1.
What is the InChIKey of 4-acetamido-N-[(E)-2-bicyclo[2.2.1]hept-5-enylmethylideneamino]benzamide?
The InChIKey is RNUGHKFUMQCWGJ-VCHYOVAHSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-11(21)19-16-6-4-13(5-7-16)17(22)20-18-10-15-9-12-2-3-14(15)8-12/h2-7,10,12,14-15H,8-9H2,1H3,(H,19,21)(H,20,22)/b18-10+.
What are the key properties of 4-acetamido-N-[(E)-2-bicyclo[2.2.1]hept-5-enylmethylideneamino]benzamide?
4-acetamido-N-[(E)-2-bicyclo[2.2.1]hept-5-enylmethylideneamino]benzamide has a molecular weight of 297.36 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-[(E)-2-bicyclo[2.2.1]hept-5-enylmethylideneamino]benzamide is sourced from PubChem (CID 46501354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).