4-amino-N-[(E)-(3-phenoxyphenyl)methylideneamino]benzamide

C20H17N3O2 — CID 6909766

IUPAC4-amino-N-[(E)-(3-phenoxyphenyl)methylideneamino]benzamide
SMILESNc1ccc(C(=O)N/N=C/c2cccc(Oc3ccccc3)c2)cc1
InChIInChI=1S/C20H17N3O2/c21-17-11-9-16(10-12-17)20(24)23-22-14-15-5-4-8-19(13-15)25-18-6-2-1-3-7-18/h1-14H,21H2,(H,23,24)/b22-14+
InChIKeyQGKCBLQMNWPDGI-HYARGMPZSA-N
MW331.38 g/mol
LogP3.83
Rot. Bonds5

About 4-amino-N-[(E)-(3-phenoxyphenyl)methylideneamino]benzamide

4-amino-N-[(E)-(3-phenoxyphenyl)methylideneamino]benzamide (PubChem CID 6909766) has the molecular formula C20H17N3O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is 4-amino-N-[(E)-(3-phenoxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-amino-N-[(E)-(3-phenoxyphenyl)methylideneamino]benzamide
PubChem CID6909766
Molecular FormulaC20H17N3O2
Molecular Weight331.38 g/mol
Exact Mass331.13
IUPAC Name4-amino-N-[(E)-(3-phenoxyphenyl)methylideneamino]benzamide
SMILESNc1ccc(C(=O)N/N=C/c2cccc(Oc3ccccc3)c2)cc1
InChIInChI=1S/C20H17N3O2/c21-17-11-9-16(10-12-17)20(24)23-22-14-15-5-4-8-19(13-15)25-18-6-2-1-3-7-18/h1-14H,21H2,(H,23,24)/b22-14+
InChIKeyQGKCBLQMNWPDGI-HYARGMPZSA-N
XLogP3.83
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'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 4-amino-N-[(E)-(3-phenoxyphenyl)methylideneamino]benzamide?
The IUPAC name of 4-amino-N-[(E)-(3-phenoxyphenyl)methylideneamino]benzamide (CID 6909766) is 4-amino-N-[(E)-(3-phenoxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-amino-N-[(E)-(3-phenoxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 4-amino-N-[(E)-(3-phenoxyphenyl)methylideneamino]benzamide is Nc1ccc(C(=O)N/N=C/c2cccc(Oc3ccccc3)c2)cc1.
What is the InChIKey of 4-amino-N-[(E)-(3-phenoxyphenyl)methylideneamino]benzamide?
The InChIKey is QGKCBLQMNWPDGI-HYARGMPZSA-N. The full InChI is InChI=1S/C20H17N3O2/c21-17-11-9-16(10-12-17)20(24)23-22-14-15-5-4-8-19(13-15)25-18-6-2-1-3-7-18/h1-14H,21H2,(H,23,24)/b22-14+.
What are the key properties of 4-amino-N-[(E)-(3-phenoxyphenyl)methylideneamino]benzamide?
4-amino-N-[(E)-(3-phenoxyphenyl)methylideneamino]benzamide has a molecular weight of 331.38 g/mol, XLogP of 3.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(E)-(3-phenoxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 6909766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).