N-[(3-chloro-2-hydroxyphenyl)methylideneamino]-2-hydroxy-4-methylbenzamide

C15H13ClN2O3 — CID 137072981

IUPACN-[(3-chloro-2-hydroxyphenyl)methylideneamino]-2-hydroxy-4-methylbenzamide
SMILESCc1ccc(C(=O)NN=Cc2cccc(Cl)c2O)c(O)c1
InChIInChI=1S/C15H13ClN2O3/c1-9-5-6-11(13(19)7-9)15(21)18-17-8-10-3-2-4-12(16)14(10)20/h2-8,19-20H,1H3,(H,18,21)
InChIKeyOFFWILNKRKPKDQ-UHFFFAOYSA-N
MW304.73 g/mol
LogP2.82
Rot. Bonds3

About N-[(3-chloro-2-hydroxyphenyl)methylideneamino]-2-hydroxy-4-methylbenzamide

N-[(3-chloro-2-hydroxyphenyl)methylideneamino]-2-hydroxy-4-methylbenzamide (PubChem CID 137072981) has the molecular formula C15H13ClN2O3 and a molecular weight of 304.73 g/mol. Its IUPAC name is N-[(3-chloro-2-hydroxyphenyl)methylideneamino]-2-hydroxy-4-methylbenzamide.

Molecular Properties

Compound NameN-[(3-chloro-2-hydroxyphenyl)methylideneamino]-2-hydroxy-4-methylbenzamide
PubChem CID137072981
Molecular FormulaC15H13ClN2O3
Molecular Weight304.73 g/mol
Exact Mass304.06
IUPAC NameN-[(3-chloro-2-hydroxyphenyl)methylideneamino]-2-hydroxy-4-methylbenzamide
SMILESCc1ccc(C(=O)NN=Cc2cccc(Cl)c2O)c(O)c1
InChIInChI=1S/C15H13ClN2O3/c1-9-5-6-11(13(19)7-9)15(21)18-17-8-10-3-2-4-12(16)14(10)20/h2-8,19-20H,1H3,(H,18,21)
InChIKeyOFFWILNKRKPKDQ-UHFFFAOYSA-N
XLogP2.82
TPSA81.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.73
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

4-chloro-N-[(E)-(2,3-dichlorophenyl)methylideneamino]-2-hydroxybenzamide
CID 5333194
2-chloro-N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-4-methylbenzamide
CID 135554727
N-[(3-chloro-2-hydroxyphenyl)methylideneamino]-2-(trifluoromethyl)benzamide
CID 137103944
N-[(Z)-(2,4-dimethylphenyl)methylideneamino]-2-hydroxybenzamide
CID 5419171
2-chloro-N-[(Z)-(3,5-dichloro-4-hydroxyphenyl)methylideneamino]-4-methylbenzamide
CID 137170826
4-chloro-N-[(Z)-(2-fluorophenyl)methylideneamino]-2-hydroxybenzamide
CID 5405746
2-chloro-N-[(2-methylphenyl)methylideneamino]benzamide
CID 775121
N-[(2-chloro-6-hydroxyphenyl)methylideneamino]-2-hydroxybenzamide
CID 137029868
N-[(3-chloro-2-hydroxyphenyl)methylideneamino]-3-(trifluoromethyl)benzamide
CID 142499205
2-chloro-N-[(E)-[5-[(3,4-dimethylphenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]-4-methylbenzamide
CID 135578419
N-[(E)-(2,3-dichlorophenyl)methylideneamino]-4-methylbenzamide
CID 5333191
N-[(3,4-dichloro-2-hydroxyphenyl)methylideneamino]-2-hydroxybenzamide
CID 137095074

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-2-hydroxyphenyl)methylideneamino]-2-hydroxy-4-methylbenzamide?
The IUPAC name of N-[(3-chloro-2-hydroxyphenyl)methylideneamino]-2-hydroxy-4-methylbenzamide (CID 137072981) is N-[(3-chloro-2-hydroxyphenyl)methylideneamino]-2-hydroxy-4-methylbenzamide.
What is the SMILES notation for N-[(3-chloro-2-hydroxyphenyl)methylideneamino]-2-hydroxy-4-methylbenzamide?
The canonical SMILES for N-[(3-chloro-2-hydroxyphenyl)methylideneamino]-2-hydroxy-4-methylbenzamide is Cc1ccc(C(=O)NN=Cc2cccc(Cl)c2O)c(O)c1.
What is the InChIKey of N-[(3-chloro-2-hydroxyphenyl)methylideneamino]-2-hydroxy-4-methylbenzamide?
The InChIKey is OFFWILNKRKPKDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O3/c1-9-5-6-11(13(19)7-9)15(21)18-17-8-10-3-2-4-12(16)14(10)20/h2-8,19-20H,1H3,(H,18,21).
What are the key properties of N-[(3-chloro-2-hydroxyphenyl)methylideneamino]-2-hydroxy-4-methylbenzamide?
N-[(3-chloro-2-hydroxyphenyl)methylideneamino]-2-hydroxy-4-methylbenzamide has a molecular weight of 304.73 g/mol, XLogP of 2.82, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-2-hydroxyphenyl)methylideneamino]-2-hydroxy-4-methylbenzamide is sourced from PubChem (CID 137072981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).