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

C16H15ClN2O4 — CID 899702

IUPAC4-chloro-N-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]benzamide
SMILESCOc1cc(C=NNC(=O)c2ccc(Cl)cc2)cc(OC)c1O
InChIInChI=1S/C16H15ClN2O4/c1-22-13-7-10(8-14(23-2)15(13)20)9-18-19-16(21)11-3-5-12(17)6-4-11/h3-9,20H,1-2H3,(H,19,21)
InChIKeyKWHAHSNZDYXMBG-UHFFFAOYSA-N
MW334.76 g/mol
LogP2.83
Rot. Bonds5

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

4-chloro-N-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]benzamide (PubChem CID 899702) has the molecular formula C16H15ClN2O4 and a molecular weight of 334.76 g/mol. Its IUPAC name is 4-chloro-N-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]benzamide
PubChem CID899702
Molecular FormulaC16H15ClN2O4
Molecular Weight334.76 g/mol
Exact Mass334.07
IUPAC Name4-chloro-N-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]benzamide
SMILESCOc1cc(C=NNC(=O)c2ccc(Cl)cc2)cc(OC)c1O
InChIInChI=1S/C16H15ClN2O4/c1-22-13-7-10(8-14(23-2)15(13)20)9-18-19-16(21)11-3-5-12(17)6-4-11/h3-9,20H,1-2H3,(H,19,21)
InChIKeyKWHAHSNZDYXMBG-UHFFFAOYSA-N
XLogP2.83
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.76
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

N-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-4-methylbenzamide
CID 4613263
4-acetamido-N-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]benzamide
CID 3909955
4-chloro-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]benzamide
CID 6870625
N-[(Z)-(3-chloro-4-hydroxy-5-methoxyphenyl)methylideneamino]benzamide
CID 136661481
4-(aminomethyl)-N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]benzamide
CID 135691055
4-chloro-N-[(3,5-dichloro-4-methoxyphenyl)methylideneamino]benzamide
CID 4512927
4-chloro-N-[(Z)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]benzamide
CID 137021928
2-(4-chlorophenyl)-N-[(Z)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]acetamide
CID 136789448
4-chloro-N-[(Z)-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]benzamide
CID 6087922
N-[(3-bromo-4-methoxyphenyl)methylideneamino]-4-chlorobenzamide
CID 7368869
N-[(Z)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-4-methoxybenzamide
CID 136919937
N-[(E)-(3,4-dihydroxy-5-methoxyphenyl)methylideneamino]-4-ethoxybenzamide
CID 135577251

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]benzamide?
The IUPAC name of 4-chloro-N-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]benzamide (CID 899702) is 4-chloro-N-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-chloro-N-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 4-chloro-N-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]benzamide is COc1cc(C=NNC(=O)c2ccc(Cl)cc2)cc(OC)c1O.
What is the InChIKey of 4-chloro-N-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]benzamide?
The InChIKey is KWHAHSNZDYXMBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O4/c1-22-13-7-10(8-14(23-2)15(13)20)9-18-19-16(21)11-3-5-12(17)6-4-11/h3-9,20H,1-2H3,(H,19,21).
What are the key properties of 4-chloro-N-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]benzamide?
4-chloro-N-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]benzamide has a molecular weight of 334.76 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 899702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).