3-amino-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]benzamide

C21H19N3O2 — CID 110512199

IUPAC3-amino-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]benzamide
SMILESNc1cccc(C(=O)N/N=C\c2ccc(OCc3ccccc3)cc2)c1
InChIInChI=1S/C21H19N3O2/c22-19-8-4-7-18(13-19)21(25)24-23-14-16-9-11-20(12-10-16)26-15-17-5-2-1-3-6-17/h1-14H,15,22H2,(H,24,25)/b23-14-
InChIKeyVOKXLZSYOCUEFT-UCQKPKSFSA-N
MW345.40 g/mol
LogP3.61
Rot. Bonds6

About 3-amino-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]benzamide

3-amino-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]benzamide (PubChem CID 110512199) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is 3-amino-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name3-amino-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]benzamide
PubChem CID110512199
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC Name3-amino-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]benzamide
SMILESNc1cccc(C(=O)N/N=C\c2ccc(OCc3ccccc3)cc2)c1
InChIInChI=1S/C21H19N3O2/c22-19-8-4-7-18(13-19)21(25)24-23-14-16-9-11-20(12-10-16)26-15-17-5-2-1-3-6-17/h1-14H,15,22H2,(H,24,25)/b23-14-
InChIKeyVOKXLZSYOCUEFT-UCQKPKSFSA-N
XLogP3.61
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.61
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-[(Z)-benzylideneamino]-4-phenylmethoxybenzamide
CID 5401763
[4-[(Z)-[(3-aminobenzoyl)hydrazinylidene]methyl]phenyl] benzoate
CID 110512271
N-[[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 573095
3,4-dimethoxy-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6305371
N-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 6046963
4-methoxy-N-[(4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 584913
N-[(4-methylphenyl)methylideneamino]-4-phenylmethoxybenzamide
CID 4932926
4-chloro-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6117105
N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 6868906
3-bromo-4-methyl-N-[(4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 5196695
3-chloro-4-methyl-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 126061831
N-[(4-phenylmethoxyphenyl)methylideneamino]-1,3-benzodioxole-5-carboxamide
CID 2592939

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]benzamide?
The IUPAC name of 3-amino-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]benzamide (CID 110512199) is 3-amino-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 3-amino-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 3-amino-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]benzamide is Nc1cccc(C(=O)N/N=C\c2ccc(OCc3ccccc3)cc2)c1.
What is the InChIKey of 3-amino-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]benzamide?
The InChIKey is VOKXLZSYOCUEFT-UCQKPKSFSA-N. The full InChI is InChI=1S/C21H19N3O2/c22-19-8-4-7-18(13-19)21(25)24-23-14-16-9-11-20(12-10-16)26-15-17-5-2-1-3-6-17/h1-14H,15,22H2,(H,24,25)/b23-14-.
What are the key properties of 3-amino-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]benzamide?
3-amino-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]benzamide has a molecular weight of 345.40 g/mol, XLogP of 3.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 110512199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).