N-(3-chloro-4-methylphenyl)-N'-[(E)-1-(4-hydroxyphenyl)ethylideneamino]oxamide

C17H16ClN3O3 — CID 135722639

IUPACN-(3-chloro-4-methylphenyl)-N'-[(E)-1-(4-hydroxyphenyl)ethylideneamino]oxamide
SMILESC/C(=N\NC(=O)C(=O)Nc1ccc(C)c(Cl)c1)c1ccc(O)cc1
InChIInChI=1S/C17H16ClN3O3/c1-10-3-6-13(9-15(10)18)19-16(23)17(24)21-20-11(2)12-4-7-14(22)8-5-12/h3-9,22H,1-2H3,(H,19,23)(H,21,24)/b20-11+
InChIKeyUVSGVUXBGIFPON-RGVLZGJSSA-N
MW345.79 g/mol
LogP2.83
Rot. Bonds3

About N-(3-chloro-4-methylphenyl)-N'-[(E)-1-(4-hydroxyphenyl)ethylideneamino]oxamide

N-(3-chloro-4-methylphenyl)-N'-[(E)-1-(4-hydroxyphenyl)ethylideneamino]oxamide (PubChem CID 135722639) has the molecular formula C17H16ClN3O3 and a molecular weight of 345.79 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-N'-[(E)-1-(4-hydroxyphenyl)ethylideneamino]oxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-N'-[(E)-1-(4-hydroxyphenyl)ethylideneamino]oxamide
PubChem CID135722639
Molecular FormulaC17H16ClN3O3
Molecular Weight345.79 g/mol
Exact Mass345.09
IUPAC NameN-(3-chloro-4-methylphenyl)-N'-[(E)-1-(4-hydroxyphenyl)ethylideneamino]oxamide
SMILESC/C(=N\NC(=O)C(=O)Nc1ccc(C)c(Cl)c1)c1ccc(O)cc1
InChIInChI=1S/C17H16ClN3O3/c1-10-3-6-13(9-15(10)18)19-16(23)17(24)21-20-11(2)12-4-7-14(22)8-5-12/h3-9,22H,1-2H3,(H,19,23)(H,21,24)/b20-11+
InChIKeyUVSGVUXBGIFPON-RGVLZGJSSA-N
XLogP2.83
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.79
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', '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

N-(3,4-dimethylphenyl)-N'-[(E)-1-(4-hydroxyphenyl)ethylideneamino]oxamide
CID 135659478
N-(3-chloro-4-methylphenyl)-N'-[(E)-1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]oxamide
CID 135554180
N-(3-chloro-4-methylphenyl)-N'-[(E)-1-[4-[(2-methylphenyl)methoxy]phenyl]ethylideneamino]oxamide
CID 19659544
N-(3-chloro-4-methylphenyl)-N'-[(E)-1-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]ethylideneamino]oxamide
CID 19659943
[4-[N-[[2-(3-chloro-4-methylanilino)-2-oxoacetyl]amino]-C-methylcarbonimidoyl]-2-methoxyphenyl] 2-methylbenzoate
CID 3322567
N-(4-ethoxyphenyl)-N'-[(E)-1-(4-hydroxyphenyl)ethylideneamino]oxamide
CID 135554232
[4-[N-[[2-(3,4-dichloroanilino)-2-oxoacetyl]amino]-C-methylcarbonimidoyl]phenyl] 4-chlorobenzoate
CID 4140531
N'-[(E)-1-(4-hydroxyphenyl)ethylideneamino]oxamide
CID 135765562
N-(3-chloro-4-methylphenyl)-N'-[(E)-1-[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]ethylideneamino]oxamide
CID 19661726
N'-[[4-[[(2R)-butan-2-yl]amino]-4-oxobutan-2-ylidene]amino]-N-(3-chloro-4-methylphenyl)oxamide
CID 129441113
N-(3-chlorophenyl)-N'-(1-phenylethylideneamino)oxamide
CID 4249349
N-(3-chloro-4-methylphenyl)-N'-[(Z)-(2-hydroxyphenyl)methylideneamino]oxamide
CID 136909047

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-N'-[(E)-1-(4-hydroxyphenyl)ethylideneamino]oxamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-N'-[(E)-1-(4-hydroxyphenyl)ethylideneamino]oxamide (CID 135722639) is N-(3-chloro-4-methylphenyl)-N'-[(E)-1-(4-hydroxyphenyl)ethylideneamino]oxamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-N'-[(E)-1-(4-hydroxyphenyl)ethylideneamino]oxamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-N'-[(E)-1-(4-hydroxyphenyl)ethylideneamino]oxamide is C/C(=N\NC(=O)C(=O)Nc1ccc(C)c(Cl)c1)c1ccc(O)cc1.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-N'-[(E)-1-(4-hydroxyphenyl)ethylideneamino]oxamide?
The InChIKey is UVSGVUXBGIFPON-RGVLZGJSSA-N. The full InChI is InChI=1S/C17H16ClN3O3/c1-10-3-6-13(9-15(10)18)19-16(23)17(24)21-20-11(2)12-4-7-14(22)8-5-12/h3-9,22H,1-2H3,(H,19,23)(H,21,24)/b20-11+.
What are the key properties of N-(3-chloro-4-methylphenyl)-N'-[(E)-1-(4-hydroxyphenyl)ethylideneamino]oxamide?
N-(3-chloro-4-methylphenyl)-N'-[(E)-1-(4-hydroxyphenyl)ethylideneamino]oxamide has a molecular weight of 345.79 g/mol, XLogP of 2.83, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-N'-[(E)-1-(4-hydroxyphenyl)ethylideneamino]oxamide is sourced from PubChem (CID 135722639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).