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

C22H19ClN2O3 — CID 94847745

IUPAC3-chloro-N-[(Z)-(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]benzamide
SMILESCOc1ccc(/C=N\NC(=O)c2cccc(Cl)c2)cc1OCc1ccccc1
InChIInChI=1S/C22H19ClN2O3/c1-27-20-11-10-17(12-21(20)28-15-16-6-3-2-4-7-16)14-24-25-22(26)18-8-5-9-19(23)13-18/h2-14H,15H2,1H3,(H,25,26)/b24-14-
InChIKeySYNYLAHLZWASIH-OYKKKHCWSA-N
MW394.86 g/mol
LogP4.69
Rot. Bonds7

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

3-chloro-N-[(Z)-(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]benzamide (PubChem CID 94847745) has the molecular formula C22H19ClN2O3 and a molecular weight of 394.86 g/mol. Its IUPAC name is 3-chloro-N-[(Z)-(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name3-chloro-N-[(Z)-(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]benzamide
PubChem CID94847745
Molecular FormulaC22H19ClN2O3
Molecular Weight394.86 g/mol
Exact Mass394.11
IUPAC Name3-chloro-N-[(Z)-(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]benzamide
SMILESCOc1ccc(/C=N\NC(=O)c2cccc(Cl)c2)cc1OCc1ccccc1
InChIInChI=1S/C22H19ClN2O3/c1-27-20-11-10-17(12-21(20)28-15-16-6-3-2-4-7-16)14-24-25-22(26)18-8-5-9-19(23)13-18/h2-14H,15H2,1H3,(H,25,26)/b24-14-
InChIKeySYNYLAHLZWASIH-OYKKKHCWSA-N
XLogP4.69
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.86
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Related Compounds

3-hydroxy-N-[(E)-(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6911475
N-[(E)-[4-[(3-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-3-ethoxy-4-phenylmethoxybenzamide
CID 126322826
N-[(E)-[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-3-methoxybenzamide
CID 110506034
N-[(E)-[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-3,4-dimethoxybenzamide
CID 126331077
3,4,5-trimethoxy-N-[(E)-(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 42991313
N-[(Z)-[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-hydroxybenzamide
CID 112537999
ethyl 2-[5-[(E)-[(3-chlorobenzoyl)hydrazinylidene]methyl]-2-methoxyphenoxy]acetate
CID 126208707
N-[(E)-(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 6880150
N-[(E)-[3-chloro-4-[(3-chlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-3-methoxy-4-phenylmethoxybenzamide
CID 126328524
3-chloro-N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]benzamide
CID 94851424
3-acetamido-N-[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6148632
3-chloro-N-[(3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 5211161

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(Z)-(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]benzamide?
The IUPAC name of 3-chloro-N-[(Z)-(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]benzamide (CID 94847745) is 3-chloro-N-[(Z)-(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 3-chloro-N-[(Z)-(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 3-chloro-N-[(Z)-(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]benzamide is COc1ccc(/C=N\NC(=O)c2cccc(Cl)c2)cc1OCc1ccccc1.
What is the InChIKey of 3-chloro-N-[(Z)-(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]benzamide?
The InChIKey is SYNYLAHLZWASIH-OYKKKHCWSA-N. The full InChI is InChI=1S/C22H19ClN2O3/c1-27-20-11-10-17(12-21(20)28-15-16-6-3-2-4-7-16)14-24-25-22(26)18-8-5-9-19(23)13-18/h2-14H,15H2,1H3,(H,25,26)/b24-14-.
What are the key properties of 3-chloro-N-[(Z)-(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]benzamide?
3-chloro-N-[(Z)-(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]benzamide has a molecular weight of 394.86 g/mol, XLogP of 4.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(Z)-(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 94847745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).