5-chloro-N-[(3,4-dihydroxyphenyl)methylideneamino]-2-methoxybenzamide

C15H13ClN2O4 — CID 840452

IUPAC5-chloro-N-[(3,4-dihydroxyphenyl)methylideneamino]-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)NN=Cc1ccc(O)c(O)c1
InChIInChI=1S/C15H13ClN2O4/c1-22-14-5-3-10(16)7-11(14)15(21)18-17-8-9-2-4-12(19)13(20)6-9/h2-8,19-20H,1H3,(H,18,21)
InChIKeyOJLNEWYZIBNJCL-UHFFFAOYSA-N
MW320.73 g/mol
LogP2.52
Rot. Bonds4

About 5-chloro-N-[(3,4-dihydroxyphenyl)methylideneamino]-2-methoxybenzamide

5-chloro-N-[(3,4-dihydroxyphenyl)methylideneamino]-2-methoxybenzamide (PubChem CID 840452) has the molecular formula C15H13ClN2O4 and a molecular weight of 320.73 g/mol. Its IUPAC name is 5-chloro-N-[(3,4-dihydroxyphenyl)methylideneamino]-2-methoxybenzamide.

Molecular Properties

Compound Name5-chloro-N-[(3,4-dihydroxyphenyl)methylideneamino]-2-methoxybenzamide
PubChem CID840452
Molecular FormulaC15H13ClN2O4
Molecular Weight320.73 g/mol
Exact Mass320.06
IUPAC Name5-chloro-N-[(3,4-dihydroxyphenyl)methylideneamino]-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)NN=Cc1ccc(O)c(O)c1
InChIInChI=1S/C15H13ClN2O4/c1-22-14-5-3-10(16)7-11(14)15(21)18-17-8-9-2-4-12(19)13(20)6-9/h2-8,19-20H,1H3,(H,18,21)
InChIKeyOJLNEWYZIBNJCL-UHFFFAOYSA-N
XLogP2.52
TPSA91.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.73
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', '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

5-chloro-N-[(3,4-dimethoxyphenyl)methylideneamino]-2-hydroxybenzamide
CID 5057069
5-chloro-N-[(E)-(4-fluorophenyl)methylideneamino]-2-methoxybenzamide
CID 6894279
5-chloro-N-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-2-methoxybenzamide
CID 4109085
4-chloro-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]benzamide
CID 6870625
2,4-dichloro-N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]benzamide
CID 6036717
2,4-dichloro-N-[(3-chloro-4-methoxyphenyl)methylideneamino]benzamide
CID 3849495
2-chloro-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
CID 136749460
N-[(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-5-chloro-2-methoxybenzamide
CID 6737092
N-[(5-chloro-2-methoxyphenyl)methylideneamino]-2,4,5-trihydroxybenzamide
CID 123734765
5-chloro-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]-2-methoxybenzamide
CID 4134120
5-chloro-2-hydroxy-N-[(Z)-(2,4,6-trimethoxyphenyl)methylideneamino]benzamide
CID 9297823
N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-5-chloro-2-hydroxybenzamide
CID 6113383

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(3,4-dihydroxyphenyl)methylideneamino]-2-methoxybenzamide?
The IUPAC name of 5-chloro-N-[(3,4-dihydroxyphenyl)methylideneamino]-2-methoxybenzamide (CID 840452) is 5-chloro-N-[(3,4-dihydroxyphenyl)methylideneamino]-2-methoxybenzamide.
What is the SMILES notation for 5-chloro-N-[(3,4-dihydroxyphenyl)methylideneamino]-2-methoxybenzamide?
The canonical SMILES for 5-chloro-N-[(3,4-dihydroxyphenyl)methylideneamino]-2-methoxybenzamide is COc1ccc(Cl)cc1C(=O)NN=Cc1ccc(O)c(O)c1.
What is the InChIKey of 5-chloro-N-[(3,4-dihydroxyphenyl)methylideneamino]-2-methoxybenzamide?
The InChIKey is OJLNEWYZIBNJCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O4/c1-22-14-5-3-10(16)7-11(14)15(21)18-17-8-9-2-4-12(19)13(20)6-9/h2-8,19-20H,1H3,(H,18,21).
What are the key properties of 5-chloro-N-[(3,4-dihydroxyphenyl)methylideneamino]-2-methoxybenzamide?
5-chloro-N-[(3,4-dihydroxyphenyl)methylideneamino]-2-methoxybenzamide has a molecular weight of 320.73 g/mol, XLogP of 2.52, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(3,4-dihydroxyphenyl)methylideneamino]-2-methoxybenzamide is sourced from PubChem (CID 840452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).