5-chloro-2-hydroxy-N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]benzamide

C15H13ClN2O4 — CID 5044456

IUPAC5-chloro-2-hydroxy-N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
SMILESCOc1cccc(C=NNC(=O)c2cc(Cl)ccc2O)c1O
InChIInChI=1S/C15H13ClN2O4/c1-22-13-4-2-3-9(14(13)20)8-17-18-15(21)11-7-10(16)5-6-12(11)19/h2-8,19-20H,1H3,(H,18,21)
InChIKeyYHLJNSOTELEGFO-UHFFFAOYSA-N
MW320.73 g/mol
LogP2.52
Rot. Bonds4

About 5-chloro-2-hydroxy-N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]benzamide

5-chloro-2-hydroxy-N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]benzamide (PubChem CID 5044456) has the molecular formula C15H13ClN2O4 and a molecular weight of 320.73 g/mol. Its IUPAC name is 5-chloro-2-hydroxy-N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name5-chloro-2-hydroxy-N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
PubChem CID5044456
Molecular FormulaC15H13ClN2O4
Molecular Weight320.73 g/mol
Exact Mass320.06
IUPAC Name5-chloro-2-hydroxy-N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
SMILESCOc1cccc(C=NNC(=O)c2cc(Cl)ccc2O)c1O
InChIInChI=1S/C15H13ClN2O4/c1-22-13-4-2-3-9(14(13)20)8-17-18-15(21)11-7-10(16)5-6-12(11)19/h2-8,19-20H,1H3,(H,18,21)
InChIKeyYHLJNSOTELEGFO-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_A(479)', '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

2-hydroxy-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-methoxybenzamide
CID 136706071
N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-5-chloro-2-hydroxybenzamide
CID 6113383
5-chloro-N-[(3,4-dimethoxyphenyl)methylideneamino]-2-hydroxybenzamide
CID 5057069
5-chloro-2-hydroxy-N-[(Z)-(2,4,6-trimethoxyphenyl)methylideneamino]benzamide
CID 9297823
N-[(5-chloro-2-methoxyphenyl)methylideneamino]-2,4,5-trihydroxybenzamide
CID 123734765
2,4-dichloro-N-[(Z)-(2-methoxyphenyl)methylideneamino]benzamide
CID 5403738
2,2-bis(4-chlorophenyl)-2-hydroxy-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 136663459
N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 136766974
3-chloro-N-[(2-methoxyphenyl)methylideneamino]benzamide
CID 913510
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-methoxybenzamide
CID 6018183
N-[(5-chloro-2-hydroxyphenyl)methylideneamino]-4-hydroxy-3-methoxybenzamide
CID 872770
N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-methyl-7-propan-2-ylazulene-1-carboxamide
CID 163218022

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-hydroxy-N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]benzamide?
The IUPAC name of 5-chloro-2-hydroxy-N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]benzamide (CID 5044456) is 5-chloro-2-hydroxy-N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 5-chloro-2-hydroxy-N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 5-chloro-2-hydroxy-N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]benzamide is COc1cccc(C=NNC(=O)c2cc(Cl)ccc2O)c1O.
What is the InChIKey of 5-chloro-2-hydroxy-N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]benzamide?
The InChIKey is YHLJNSOTELEGFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O4/c1-22-13-4-2-3-9(14(13)20)8-17-18-15(21)11-7-10(16)5-6-12(11)19/h2-8,19-20H,1H3,(H,18,21).
What are the key properties of 5-chloro-2-hydroxy-N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]benzamide?
5-chloro-2-hydroxy-N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]benzamide 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-2-hydroxy-N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 5044456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).