5-chloro-N-[(3,4-dimethoxyphenyl)methylideneamino]-2-hydroxybenzamide

C16H15ClN2O4 — CID 5057069

IUPAC5-chloro-N-[(3,4-dimethoxyphenyl)methylideneamino]-2-hydroxybenzamide
SMILESCOc1ccc(C=NNC(=O)c2cc(Cl)ccc2O)cc1OC
InChIInChI=1S/C16H15ClN2O4/c1-22-14-6-3-10(7-15(14)23-2)9-18-19-16(21)12-8-11(17)4-5-13(12)20/h3-9,20H,1-2H3,(H,19,21)
InChIKeyMJPDLQHKKPFJSG-UHFFFAOYSA-N
MW334.76 g/mol
LogP2.83
Rot. Bonds5

About 5-chloro-N-[(3,4-dimethoxyphenyl)methylideneamino]-2-hydroxybenzamide

5-chloro-N-[(3,4-dimethoxyphenyl)methylideneamino]-2-hydroxybenzamide (PubChem CID 5057069) has the molecular formula C16H15ClN2O4 and a molecular weight of 334.76 g/mol. Its IUPAC name is 5-chloro-N-[(3,4-dimethoxyphenyl)methylideneamino]-2-hydroxybenzamide.

Molecular Properties

Compound Name5-chloro-N-[(3,4-dimethoxyphenyl)methylideneamino]-2-hydroxybenzamide
PubChem CID5057069
Molecular FormulaC16H15ClN2O4
Molecular Weight334.76 g/mol
Exact Mass334.07
IUPAC Name5-chloro-N-[(3,4-dimethoxyphenyl)methylideneamino]-2-hydroxybenzamide
SMILESCOc1ccc(C=NNC(=O)c2cc(Cl)ccc2O)cc1OC
InChIInChI=1S/C16H15ClN2O4/c1-22-14-6-3-10(7-15(14)23-2)9-18-19-16(21)12-8-11(17)4-5-13(12)20/h3-9,20H,1-2H3,(H,19,21)
InChIKeyMJPDLQHKKPFJSG-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': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-chloro-N-[(3,4-dihydroxyphenyl)methylideneamino]-2-methoxybenzamide
CID 840452
2,4-dichloro-N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]benzamide
CID 6036717
5-chloro-N-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-2-methoxybenzamide
CID 4109085
2,4-dichloro-N-[(3-chloro-4-methoxyphenyl)methylideneamino]benzamide
CID 3849495
5-chloro-2-hydroxy-N-[(Z)-(2,4,6-trimethoxyphenyl)methylideneamino]benzamide
CID 9297823
2-chloro-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
CID 136749460
N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-5-chloro-2-hydroxybenzamide
CID 6113383
[4-[[(2,4-dichlorobenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] acetate
CID 4507669
5-bromo-2-hydroxy-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
CID 136843544
5-chloro-N-[(E)-(4-fluorophenyl)methylideneamino]-2-methoxybenzamide
CID 6894279
N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-3,4-dimethoxybenzamide
CID 689512
5-chloro-2-hydroxy-N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
CID 5044456

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(3,4-dimethoxyphenyl)methylideneamino]-2-hydroxybenzamide?
The IUPAC name of 5-chloro-N-[(3,4-dimethoxyphenyl)methylideneamino]-2-hydroxybenzamide (CID 5057069) is 5-chloro-N-[(3,4-dimethoxyphenyl)methylideneamino]-2-hydroxybenzamide.
What is the SMILES notation for 5-chloro-N-[(3,4-dimethoxyphenyl)methylideneamino]-2-hydroxybenzamide?
The canonical SMILES for 5-chloro-N-[(3,4-dimethoxyphenyl)methylideneamino]-2-hydroxybenzamide is COc1ccc(C=NNC(=O)c2cc(Cl)ccc2O)cc1OC.
What is the InChIKey of 5-chloro-N-[(3,4-dimethoxyphenyl)methylideneamino]-2-hydroxybenzamide?
The InChIKey is MJPDLQHKKPFJSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O4/c1-22-14-6-3-10(7-15(14)23-2)9-18-19-16(21)12-8-11(17)4-5-13(12)20/h3-9,20H,1-2H3,(H,19,21).
What are the key properties of 5-chloro-N-[(3,4-dimethoxyphenyl)methylideneamino]-2-hydroxybenzamide?
5-chloro-N-[(3,4-dimethoxyphenyl)methylideneamino]-2-hydroxybenzamide 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 5-chloro-N-[(3,4-dimethoxyphenyl)methylideneamino]-2-hydroxybenzamide is sourced from PubChem (CID 5057069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).