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

C20H17N3O2 — CID 110337163

IUPAC2-amino-N-[(E)-(3-phenoxyphenyl)methylideneamino]benzamide
SMILESNc1ccccc1C(=O)N/N=C/c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C20H17N3O2/c21-19-12-5-4-11-18(19)20(24)23-22-14-15-7-6-10-17(13-15)25-16-8-2-1-3-9-16/h1-14H,21H2,(H,23,24)/b22-14+
InChIKeyVCBZHOUJILDLDS-HYARGMPZSA-N
MW331.38 g/mol
LogP3.83
Rot. Bonds5

About 2-amino-N-[(E)-(3-phenoxyphenyl)methylideneamino]benzamide

2-amino-N-[(E)-(3-phenoxyphenyl)methylideneamino]benzamide (PubChem CID 110337163) has the molecular formula C20H17N3O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is 2-amino-N-[(E)-(3-phenoxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name2-amino-N-[(E)-(3-phenoxyphenyl)methylideneamino]benzamide
PubChem CID110337163
Molecular FormulaC20H17N3O2
Molecular Weight331.38 g/mol
Exact Mass331.13
IUPAC Name2-amino-N-[(E)-(3-phenoxyphenyl)methylideneamino]benzamide
SMILESNc1ccccc1C(=O)N/N=C/c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C20H17N3O2/c21-19-12-5-4-11-18(19)20(24)23-22-14-15-7-6-10-17(13-15)25-16-8-2-1-3-9-16/h1-14H,21H2,(H,23,24)/b22-14+
InChIKeyVCBZHOUJILDLDS-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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Related Compounds

N-[(E)-(3-phenoxyphenyl)methylideneamino]benzamide
CID 6870929
2-amino-N-[(E)-(3-propoxyphenyl)methylideneamino]benzamide
CID 110340423
2-amino-N-[(E)-(3-methylphenyl)methylideneamino]benzamide
CID 87421764
2-amino-N-[(E)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 21370994
2-amino-N-[(E)-[3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]benzamide
CID 21370999
5-bromo-2-methoxy-N-[(Z)-(3-phenoxyphenyl)methylideneamino]benzamide
CID 94836303
3-hydroxy-N-[(E)-(3-phenoxyphenyl)methylideneamino]benzamide
CID 6911430
3-chloro-N-[(Z)-(3-phenoxyphenyl)methylideneamino]benzamide
CID 94847748
3,5-dinitro-N-[(3-phenoxyphenyl)methylideneamino]benzamide
CID 171135969
[3-[(Z)-[(2-bromobenzoyl)hydrazinylidene]methyl]phenyl] benzoate
CID 41002091
N-[(3-phenoxyphenyl)methylideneamino]-2-(4-phenylphenyl)quinoline-4-carboxamide
CID 2348277
2-amino-N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]benzamide
CID 5397551

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(E)-(3-phenoxyphenyl)methylideneamino]benzamide?
The IUPAC name of 2-amino-N-[(E)-(3-phenoxyphenyl)methylideneamino]benzamide (CID 110337163) is 2-amino-N-[(E)-(3-phenoxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 2-amino-N-[(E)-(3-phenoxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 2-amino-N-[(E)-(3-phenoxyphenyl)methylideneamino]benzamide is Nc1ccccc1C(=O)N/N=C/c1cccc(Oc2ccccc2)c1.
What is the InChIKey of 2-amino-N-[(E)-(3-phenoxyphenyl)methylideneamino]benzamide?
The InChIKey is VCBZHOUJILDLDS-HYARGMPZSA-N. The full InChI is InChI=1S/C20H17N3O2/c21-19-12-5-4-11-18(19)20(24)23-22-14-15-7-6-10-17(13-15)25-16-8-2-1-3-9-16/h1-14H,21H2,(H,23,24)/b22-14+.
What are the key properties of 2-amino-N-[(E)-(3-phenoxyphenyl)methylideneamino]benzamide?
2-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 2-amino-N-[(E)-(3-phenoxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 110337163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).