4-chloro-N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]benzamide

C15H13ClN2O2 — CID 135688213

IUPAC4-chloro-N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]benzamide
SMILESCc1ccc(O)c(/C=N/NC(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C15H13ClN2O2/c1-10-2-7-14(19)12(8-10)9-17-18-15(20)11-3-5-13(16)6-4-11/h2-9,19H,1H3,(H,18,20)/b17-9+
InChIKeyXQUPZAWPVWDCNE-RQZCQDPDSA-N
MW288.73 g/mol
LogP3.12
Rot. Bonds3

About 4-chloro-N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]benzamide

4-chloro-N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]benzamide (PubChem CID 135688213) has the molecular formula C15H13ClN2O2 and a molecular weight of 288.73 g/mol. Its IUPAC name is 4-chloro-N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]benzamide
PubChem CID135688213
Molecular FormulaC15H13ClN2O2
Molecular Weight288.73 g/mol
Exact Mass288.07
IUPAC Name4-chloro-N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]benzamide
SMILESCc1ccc(O)c(/C=N/NC(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C15H13ClN2O2/c1-10-2-7-14(19)12(8-10)9-17-18-15(20)11-3-5-13(16)6-4-11/h2-9,19H,1H3,(H,18,20)/b17-9+
InChIKeyXQUPZAWPVWDCNE-RQZCQDPDSA-N
XLogP3.12
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.73
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]benzamide
CID 135406892
N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-chlorobenzamide
CID 136766998
N-[(5-chloro-2-hydroxyphenyl)methylideneamino]-3-methylbenzamide
CID 136628097
4-chloro-N-[(E)-[5-[[3-[(E)-[(4-chlorobenzoyl)hydrazinylidene]methyl]-4-hydroxyphenyl]methyl]-2-hydroxyphenyl]methylideneamino]benzamide
CID 135505356
N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]-3,5-dinitrobenzamide
CID 135443110
N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-4-ethoxybenzamide
CID 135577243
2-(4-chlorophenoxy)-N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]acetamide
CID 135533084
3,4-dibromo-N-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]benzamide
CID 137361726
N-[(5-chloro-2-hydroxyphenyl)methylideneamino]-4-hydroxy-3-methoxybenzamide
CID 872770
N-[(E)-(2,5-dihydroxyphenyl)methylideneamino]-3-methylbenzamide
CID 135546379
N-[(Z)-(2-hydroxy-5-methylphenyl)methylideneamino]pyridine-2-carboxamide
CID 136750100
[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]carbamic acid
CID 135408520

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]benzamide?
The IUPAC name of 4-chloro-N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]benzamide (CID 135688213) is 4-chloro-N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-chloro-N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]benzamide?
The canonical SMILES for 4-chloro-N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]benzamide is Cc1ccc(O)c(/C=N/NC(=O)c2ccc(Cl)cc2)c1.
What is the InChIKey of 4-chloro-N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]benzamide?
The InChIKey is XQUPZAWPVWDCNE-RQZCQDPDSA-N. The full InChI is InChI=1S/C15H13ClN2O2/c1-10-2-7-14(19)12(8-10)9-17-18-15(20)11-3-5-13(16)6-4-11/h2-9,19H,1H3,(H,18,20)/b17-9+.
What are the key properties of 4-chloro-N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]benzamide?
4-chloro-N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]benzamide has a molecular weight of 288.73 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]benzamide is sourced from PubChem (CID 135688213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).