N-(4-chloro-2-methylphenyl)-N'-[(E)-(2-hydroxyphenyl)methylideneamino]oxamide

C16H14ClN3O3 — CID 135479681

IUPACN-(4-chloro-2-methylphenyl)-N'-[(E)-(2-hydroxyphenyl)methylideneamino]oxamide
SMILESCc1cc(Cl)ccc1NC(=O)C(=O)N/N=C/c1ccccc1O
InChIInChI=1S/C16H14ClN3O3/c1-10-8-12(17)6-7-13(10)19-15(22)16(23)20-18-9-11-4-2-3-5-14(11)21/h2-9,21H,1H3,(H,19,22)(H,20,23)/b18-9+
InChIKeyUWMNFVIFRLPQAS-GIJQJNRQSA-N
MW331.76 g/mol
LogP2.44
Rot. Bonds3

About N-(4-chloro-2-methylphenyl)-N'-[(E)-(2-hydroxyphenyl)methylideneamino]oxamide

N-(4-chloro-2-methylphenyl)-N'-[(E)-(2-hydroxyphenyl)methylideneamino]oxamide (PubChem CID 135479681) has the molecular formula C16H14ClN3O3 and a molecular weight of 331.76 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-N'-[(E)-(2-hydroxyphenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-N'-[(E)-(2-hydroxyphenyl)methylideneamino]oxamide
PubChem CID135479681
Molecular FormulaC16H14ClN3O3
Molecular Weight331.76 g/mol
Exact Mass331.07
IUPAC NameN-(4-chloro-2-methylphenyl)-N'-[(E)-(2-hydroxyphenyl)methylideneamino]oxamide
SMILESCc1cc(Cl)ccc1NC(=O)C(=O)N/N=C/c1ccccc1O
InChIInChI=1S/C16H14ClN3O3/c1-10-8-12(17)6-7-13(10)19-15(22)16(23)20-18-9-11-4-2-3-5-14(11)21/h2-9,21H,1H3,(H,19,22)(H,20,23)/b18-9+
InChIKeyUWMNFVIFRLPQAS-GIJQJNRQSA-N
XLogP2.44
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.76
LogP ≤ 52.44
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'-Hydroxydesmethyldiazepam
CID 87025
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-(4-chloro-2-methylphenyl)-4-[(2E)-2-(2-hydroxy-5-nitrobenzylidene)hydrazinyl]-4-oxobutanamide
CID 135403929
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''-(5-chloro-2-hydroxybenzylidene)-4-(m-toluidino)-4-oxobutanehydrazide
CID 135492196
2-(4-chloro-2-methylanilino)-N'-[(2-hydroxy-1-naphthyl)methylene]butanohydrazide
CID 135533790
N'-(4-chlorophenyl)-N-[2-(2-hydroxyphenyl)ethyl]oxamide
CID 145979427

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-N'-[(E)-(2-hydroxyphenyl)methylideneamino]oxamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-N'-[(E)-(2-hydroxyphenyl)methylideneamino]oxamide (CID 135479681) is N-(4-chloro-2-methylphenyl)-N'-[(E)-(2-hydroxyphenyl)methylideneamino]oxamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-N'-[(E)-(2-hydroxyphenyl)methylideneamino]oxamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-N'-[(E)-(2-hydroxyphenyl)methylideneamino]oxamide is Cc1cc(Cl)ccc1NC(=O)C(=O)N/N=C/c1ccccc1O.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-N'-[(E)-(2-hydroxyphenyl)methylideneamino]oxamide?
The InChIKey is UWMNFVIFRLPQAS-GIJQJNRQSA-N. The full InChI is InChI=1S/C16H14ClN3O3/c1-10-8-12(17)6-7-13(10)19-15(22)16(23)20-18-9-11-4-2-3-5-14(11)21/h2-9,21H,1H3,(H,19,22)(H,20,23)/b18-9+.
What are the key properties of N-(4-chloro-2-methylphenyl)-N'-[(E)-(2-hydroxyphenyl)methylideneamino]oxamide?
N-(4-chloro-2-methylphenyl)-N'-[(E)-(2-hydroxyphenyl)methylideneamino]oxamide has a molecular weight of 331.76 g/mol, XLogP of 2.44, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-N'-[(E)-(2-hydroxyphenyl)methylideneamino]oxamide is sourced from PubChem (CID 135479681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).