4-chloro-N-[(Z)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]benzamide

C16H15ClN2O2 — CID 137021928

IUPAC4-chloro-N-[(Z)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]benzamide
SMILESCc1cc(/C=N\NC(=O)c2ccc(Cl)cc2)cc(C)c1O
InChIInChI=1S/C16H15ClN2O2/c1-10-7-12(8-11(2)15(10)20)9-18-19-16(21)13-3-5-14(17)6-4-13/h3-9,20H,1-2H3,(H,19,21)/b18-9-
InChIKeyDIDKYCLUALETNF-NVMNQCDNSA-N
MW302.76 g/mol
LogP3.43
Rot. Bonds3

About 4-chloro-N-[(Z)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]benzamide

4-chloro-N-[(Z)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]benzamide (PubChem CID 137021928) has the molecular formula C16H15ClN2O2 and a molecular weight of 302.76 g/mol. Its IUPAC name is 4-chloro-N-[(Z)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(Z)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]benzamide
PubChem CID137021928
Molecular FormulaC16H15ClN2O2
Molecular Weight302.76 g/mol
Exact Mass302.08
IUPAC Name4-chloro-N-[(Z)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]benzamide
SMILESCc1cc(/C=N\NC(=O)c2ccc(Cl)cc2)cc(C)c1O
InChIInChI=1S/C16H15ClN2O2/c1-10-7-12(8-11(2)15(10)20)9-18-19-16(21)13-3-5-14(17)6-4-13/h3-9,20H,1-2H3,(H,19,21)/b18-9-
InChIKeyDIDKYCLUALETNF-NVMNQCDNSA-N
XLogP3.43
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 53.43
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

4-chloro-N-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]benzamide
CID 899702
4-chloro-N-[(Z)-(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]benzamide
CID 136767804
2-chloro-N-[(4-hydroxy-3,5-dimethylphenyl)methylideneamino]benzamide
CID 4002314
4-chloro-N-[(3,5-dichloro-4-methoxyphenyl)methylideneamino]benzamide
CID 4512927
4-chloro-N-[(Z)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]benzamide
CID 135644310
4-chloro-N-[(E)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]benzamide
CID 135579323
2-(4-chlorophenyl)-N-[(4-hydroxy-3,5-dimethylphenyl)methylideneamino]-4-methyl-1,3-oxazole-5-carboxamide
CID 136961096
3-fluoro-N-[(4-hydroxy-3,5-dimethylphenyl)methylideneamino]benzamide
CID 4031826
4-bromo-N-[(E)-(3-bromo-4-hydroxy-5-methylphenyl)methylideneamino]-3-methylbenzamide
CID 145487242
N-[(4-acetamidophenyl)methylideneamino]-4-chlorobenzamide
CID 2691882
4-chloro-N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]benzamide
CID 135688213
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)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]benzamide?
The IUPAC name of 4-chloro-N-[(Z)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]benzamide (CID 137021928) is 4-chloro-N-[(Z)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-chloro-N-[(Z)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]benzamide?
The canonical SMILES for 4-chloro-N-[(Z)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]benzamide is Cc1cc(/C=N\NC(=O)c2ccc(Cl)cc2)cc(C)c1O.
What is the InChIKey of 4-chloro-N-[(Z)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]benzamide?
The InChIKey is DIDKYCLUALETNF-NVMNQCDNSA-N. The full InChI is InChI=1S/C16H15ClN2O2/c1-10-7-12(8-11(2)15(10)20)9-18-19-16(21)13-3-5-14(17)6-4-13/h3-9,20H,1-2H3,(H,19,21)/b18-9-.
What are the key properties of 4-chloro-N-[(Z)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]benzamide?
4-chloro-N-[(Z)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]benzamide has a molecular weight of 302.76 g/mol, XLogP of 3.43, 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)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]benzamide is sourced from PubChem (CID 137021928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).