4-chloro-N-[(Z)-(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]benzamide

C22H27ClN2O2 — CID 136767804

IUPAC4-chloro-N-[(Z)-(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]benzamide
SMILESCC(C)(C)c1cc(/C=N\NC(=O)c2ccc(Cl)cc2)cc(C(C)(C)C)c1O
InChIInChI=1S/C22H27ClN2O2/c1-21(2,3)17-11-14(12-18(19(17)26)22(4,5)6)13-24-25-20(27)15-7-9-16(23)10-8-15/h7-13,26H,1-6H3,(H,25,27)/b24-13-
InChIKeyXDBFKVJVKIHDDT-CFRMEGHHSA-N
MW386.92 g/mol
LogP5.40
Rot. Bonds3

About 4-chloro-N-[(Z)-(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]benzamide

4-chloro-N-[(Z)-(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]benzamide (PubChem CID 136767804) has the molecular formula C22H27ClN2O2 and a molecular weight of 386.92 g/mol. Its IUPAC name is 4-chloro-N-[(Z)-(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(Z)-(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]benzamide
PubChem CID136767804
Molecular FormulaC22H27ClN2O2
Molecular Weight386.92 g/mol
Exact Mass386.18
IUPAC Name4-chloro-N-[(Z)-(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]benzamide
SMILESCC(C)(C)c1cc(/C=N\NC(=O)c2ccc(Cl)cc2)cc(C(C)(C)C)c1O
InChIInChI=1S/C22H27ClN2O2/c1-21(2,3)17-11-14(12-18(19(17)26)22(4,5)6)13-24-25-20(27)15-7-9-16(23)10-8-15/h7-13,26H,1-6H3,(H,25,27)/b24-13-
InChIKeyXDBFKVJVKIHDDT-CFRMEGHHSA-N
XLogP5.40
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.92
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', '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

3,5-ditert-butyl-N-[(E)-(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]-4-hydroxybenzamide
CID 135437571
3-chloro-N-[(Z)-(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]-4-methylbenzamide
CID 137034772
4-chloro-N-[(Z)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]benzamide
CID 137021928
4-chloro-N-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]benzamide
CID 899702
2-(4-chlorophenoxy)-N-[(E)-(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]acetamide
CID 135827922
3-anilino-N-[(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]benzamide
CID 3506052
N-[(E)-(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]-2-methoxybenzamide
CID 136712141
4-chloro-N-[(3,5-dichloro-4-methoxyphenyl)methylideneamino]benzamide
CID 4512927
3,5-ditert-butyl-4-hydroxy-N-[(4-nitrophenyl)methylideneamino]benzamide
CID 139795331
N-[(4-acetamidophenyl)methylideneamino]-4-chlorobenzamide
CID 2691882
N-[(Z)-(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide
CID 136794022
N-[(E)-[4-[(4-chlorophenyl)iminomethyl]phenyl]methylideneamino]-4-hydroxybenzamide
CID 71816318

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(Z)-(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]benzamide?
The IUPAC name of 4-chloro-N-[(Z)-(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]benzamide (CID 136767804) is 4-chloro-N-[(Z)-(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-chloro-N-[(Z)-(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 4-chloro-N-[(Z)-(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]benzamide is CC(C)(C)c1cc(/C=N\NC(=O)c2ccc(Cl)cc2)cc(C(C)(C)C)c1O.
What is the InChIKey of 4-chloro-N-[(Z)-(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]benzamide?
The InChIKey is XDBFKVJVKIHDDT-CFRMEGHHSA-N. The full InChI is InChI=1S/C22H27ClN2O2/c1-21(2,3)17-11-14(12-18(19(17)26)22(4,5)6)13-24-25-20(27)15-7-9-16(23)10-8-15/h7-13,26H,1-6H3,(H,25,27)/b24-13-.
What are the key properties of 4-chloro-N-[(Z)-(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]benzamide?
4-chloro-N-[(Z)-(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]benzamide has a molecular weight of 386.92 g/mol, XLogP of 5.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(Z)-(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 136767804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).