2-(3-chloroanilino)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide

C15H14ClN3O2 — CID 135751893

IUPAC2-(3-chloroanilino)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
SMILESO=C(CNc1cccc(Cl)c1)N/N=C/c1ccccc1O
InChIInChI=1S/C15H14ClN3O2/c16-12-5-3-6-13(8-12)17-10-15(21)19-18-9-11-4-1-2-7-14(11)20/h1-9,17,20H,10H2,(H,19,21)/b18-9+
InChIKeyVWTSGIMCFQPWAU-GIJQJNRQSA-N
MW303.75 g/mol
LogP2.61
Rot. Bonds5

About 2-(3-chloroanilino)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide

2-(3-chloroanilino)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide (PubChem CID 135751893) has the molecular formula C15H14ClN3O2 and a molecular weight of 303.75 g/mol. Its IUPAC name is 2-(3-chloroanilino)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(3-chloroanilino)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
PubChem CID135751893
Molecular FormulaC15H14ClN3O2
Molecular Weight303.75 g/mol
Exact Mass303.08
IUPAC Name2-(3-chloroanilino)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
SMILESO=C(CNc1cccc(Cl)c1)N/N=C/c1ccccc1O
InChIInChI=1S/C15H14ClN3O2/c16-12-5-3-6-13(8-12)17-10-15(21)19-18-9-11-4-1-2-7-14(11)20/h1-9,17,20H,10H2,(H,19,21)/b18-9+
InChIKeyVWTSGIMCFQPWAU-GIJQJNRQSA-N
XLogP2.61
TPSA73.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 52.61
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

2-(2-(3-Allyl-2-hydroxybenzylidene)hydrazino)-N-(4-methylphenyl)-2-oxoacetamide
CID 135433321
N-(3,4-dichlorophenyl)-3-[(2E)-2-(4-hydroxybenzylidene)hydrazino]-3-oxopropanamide
CID 135479506
N''-(2-hydroxybenzylidene)-2-(N-(4-chlorophenyl)phenylsulfonamido)acetohydrazide
CID 135537472
2-[(2E)-2-(2-hydroxybenzylidene)hydrazinyl]-N-(2-methylphenyl)-2-oxoacetamide
CID 135419636
N'-(3-allyl-2-hydroxybenzylidene)-2-(4-toluidino)propanohydrazide
CID 135401434
N'-[(1E)-(3-allyl-2-hydroxyphenyl)methylene]-2-[(3-methylphenyl)amino]propanohydrazide
CID 135439753
N'-(3-allyl-2-hydroxybenzylidene)-2-anilinoacetohydrazide
CID 135490294
1-(4-chlorophenyl)-N'-[(E)-(2-hydroxyphenyl)methylidene]-5-oxopyrrolidine-3-carbohydrazide
CID 135492281
N'-(2-Hydroxybenzylidene)-2-(3-toluidino)acetohydrazide
CID 135479388
2-(2-(2-Hydroxybenzylidene)hydrazino)-N-(4-methylphenyl)-2-oxoacetamide
CID 135459122
N'-(3-hydroxybenzylidene)-2-(4-toluidino)acetohydrazide
CID 5340599
N''-(5-chloro-2-hydroxybenzylidene)-4-(m-toluidino)-4-oxobutanehydrazide
CID 135492196

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloroanilino)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(3-chloroanilino)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide (CID 135751893) is 2-(3-chloroanilino)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(3-chloroanilino)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(3-chloroanilino)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide is O=C(CNc1cccc(Cl)c1)N/N=C/c1ccccc1O.
What is the InChIKey of 2-(3-chloroanilino)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide?
The InChIKey is VWTSGIMCFQPWAU-GIJQJNRQSA-N. The full InChI is InChI=1S/C15H14ClN3O2/c16-12-5-3-6-13(8-12)17-10-15(21)19-18-9-11-4-1-2-7-14(11)20/h1-9,17,20H,10H2,(H,19,21)/b18-9+.
What are the key properties of 2-(3-chloroanilino)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide?
2-(3-chloroanilino)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide has a molecular weight of 303.75 g/mol, XLogP of 2.61, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloroanilino)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 135751893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).