N-(3-chlorophenyl)-N'-[(E)-(2-hydroxyphenyl)methylideneamino]oxamide

C15H12ClN3O3 — CID 135501445

IUPACN-(3-chlorophenyl)-N'-[(E)-(2-hydroxyphenyl)methylideneamino]oxamide
SMILESO=C(N/N=C/c1ccccc1O)C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C15H12ClN3O3/c16-11-5-3-6-12(8-11)18-14(21)15(22)19-17-9-10-4-1-2-7-13(10)20/h1-9,20H,(H,18,21)(H,19,22)/b17-9+
InChIKeyALTHMSHXBIHQDW-RQZCQDPDSA-N
MW317.73 g/mol
LogP2.13
Rot. Bonds3

About N-(3-chlorophenyl)-N'-[(E)-(2-hydroxyphenyl)methylideneamino]oxamide

N-(3-chlorophenyl)-N'-[(E)-(2-hydroxyphenyl)methylideneamino]oxamide (PubChem CID 135501445) has the molecular formula C15H12ClN3O3 and a molecular weight of 317.73 g/mol. Its IUPAC name is N-(3-chlorophenyl)-N'-[(E)-(2-hydroxyphenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-N'-[(E)-(2-hydroxyphenyl)methylideneamino]oxamide
PubChem CID135501445
Molecular FormulaC15H12ClN3O3
Molecular Weight317.73 g/mol
Exact Mass317.06
IUPAC NameN-(3-chlorophenyl)-N'-[(E)-(2-hydroxyphenyl)methylideneamino]oxamide
SMILESO=C(N/N=C/c1ccccc1O)C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C15H12ClN3O3/c16-11-5-3-6-12(8-11)18-14(21)15(22)19-17-9-10-4-1-2-7-13(10)20/h1-9,20H,(H,18,21)(H,19,22)/b17-9+
InChIKeyALTHMSHXBIHQDW-RQZCQDPDSA-N
XLogP2.13
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.73
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', '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
4-[(2E)-2-(2-hydroxybenzylidene)hydrazino]-N-(4-methylphenyl)-4-oxobutanamide
CID 135683576
N-(3,4-dichlorophenyl)-3-[(2E)-2-(4-hydroxybenzylidene)hydrazino]-3-oxopropanamide
CID 135479506
2-[(2E)-2-(2-hydroxybenzylidene)hydrazinyl]-N-(2-methylphenyl)-2-oxoacetamide
CID 135419636
2-Hydroxybenzaldehyde N-(3-chlorophenyl)thiosemicarbazone
CID 135473135
N-(3-Chlorophenyl)-3-{N'-[(E)-(2-hydroxy-5-nitrophenyl)methylidene]hydrazinecarbonyl}propanamide
CID 135439752
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-(4-fluorophenyl)-4-[(2E)-2-(2-hydroxybenzylidene)hydrazinyl]-4-oxobutanamide
CID 135439722
N''-(5-chloro-2-hydroxybenzylidene)-4-(m-toluidino)-4-oxobutanehydrazide
CID 135492196

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-N'-[(E)-(2-hydroxyphenyl)methylideneamino]oxamide?
The IUPAC name of N-(3-chlorophenyl)-N'-[(E)-(2-hydroxyphenyl)methylideneamino]oxamide (CID 135501445) is N-(3-chlorophenyl)-N'-[(E)-(2-hydroxyphenyl)methylideneamino]oxamide.
What is the SMILES notation for N-(3-chlorophenyl)-N'-[(E)-(2-hydroxyphenyl)methylideneamino]oxamide?
The canonical SMILES for N-(3-chlorophenyl)-N'-[(E)-(2-hydroxyphenyl)methylideneamino]oxamide is O=C(N/N=C/c1ccccc1O)C(=O)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-N'-[(E)-(2-hydroxyphenyl)methylideneamino]oxamide?
The InChIKey is ALTHMSHXBIHQDW-RQZCQDPDSA-N. The full InChI is InChI=1S/C15H12ClN3O3/c16-11-5-3-6-12(8-11)18-14(21)15(22)19-17-9-10-4-1-2-7-13(10)20/h1-9,20H,(H,18,21)(H,19,22)/b17-9+.
What are the key properties of N-(3-chlorophenyl)-N'-[(E)-(2-hydroxyphenyl)methylideneamino]oxamide?
N-(3-chlorophenyl)-N'-[(E)-(2-hydroxyphenyl)methylideneamino]oxamide has a molecular weight of 317.73 g/mol, XLogP of 2.13, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-N'-[(E)-(2-hydroxyphenyl)methylideneamino]oxamide is sourced from PubChem (CID 135501445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).