N'-[(2-hydroxy-5-nitrophenyl)methylideneamino]-N-[2-[(4-methylphenyl)carbamoyl]phenyl]oxamide

C23H19N5O6 — CID 4148017

IUPACN'-[(2-hydroxy-5-nitrophenyl)methylideneamino]-N-[2-[(4-methylphenyl)carbamoyl]phenyl]oxamide
SMILESCc1ccc(NC(=O)c2ccccc2NC(=O)C(=O)NN=Cc2cc([N+](=O)[O-])ccc2O)cc1
InChIInChI=1S/C23H19N5O6/c1-14-6-8-16(9-7-14)25-21(30)18-4-2-3-5-19(18)26-22(31)23(32)27-24-13-15-12-17(28(33)34)10-11-20(15)29/h2-13,29H,1H3,(H,25,30)(H,26,31)(H,27,32)
InChIKeyYRWGDIURFLCWTJ-UHFFFAOYSA-N
MW461.43 g/mol
LogP2.95
Rot. Bonds6

About N'-[(2-hydroxy-5-nitrophenyl)methylideneamino]-N-[2-[(4-methylphenyl)carbamoyl]phenyl]oxamide

N'-[(2-hydroxy-5-nitrophenyl)methylideneamino]-N-[2-[(4-methylphenyl)carbamoyl]phenyl]oxamide (PubChem CID 4148017) has the molecular formula C23H19N5O6 and a molecular weight of 461.43 g/mol. Its IUPAC name is N'-[(2-hydroxy-5-nitrophenyl)methylideneamino]-N-[2-[(4-methylphenyl)carbamoyl]phenyl]oxamide.

Molecular Properties

Compound NameN'-[(2-hydroxy-5-nitrophenyl)methylideneamino]-N-[2-[(4-methylphenyl)carbamoyl]phenyl]oxamide
PubChem CID4148017
Molecular FormulaC23H19N5O6
Molecular Weight461.43 g/mol
Exact Mass461.13
IUPAC NameN'-[(2-hydroxy-5-nitrophenyl)methylideneamino]-N-[2-[(4-methylphenyl)carbamoyl]phenyl]oxamide
SMILESCc1ccc(NC(=O)c2ccccc2NC(=O)C(=O)NN=Cc2cc([N+](=O)[O-])ccc2O)cc1
InChIInChI=1S/C23H19N5O6/c1-14-6-8-16(9-7-14)25-21(30)18-4-2-3-5-19(18)26-22(31)23(32)27-24-13-15-12-17(28(33)34)10-11-20(15)29/h2-13,29H,1H3,(H,25,30)(H,26,31)(H,27,32)
InChIKeyYRWGDIURFLCWTJ-UHFFFAOYSA-N
XLogP2.95
TPSA163.03 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.43
LogP ≤ 52.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-N-[2-[(4-methylphenyl)carbamoyl]phenyl]oxamide
CID 136919379
N'-[(2-hydroxy-5-nitrophenyl)methylideneamino]-N-phenyloxamide
CID 3817140
N'-[(5-bromo-2-hydroxyphenyl)methylideneamino]-N-[2-[(3-methylphenyl)carbamoyl]phenyl]oxamide
CID 4171439
N'-[(Z)-(3-nitrophenyl)methylideneamino]-N-[2-(phenylcarbamoyl)phenyl]oxamide
CID 6010711
N'-[(5-chloro-2-hydroxyphenyl)methylideneamino]-N-[2-(phenylcarbamoyl)phenyl]oxamide
CID 4601771
N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-N'-[(4-nitrophenyl)methylideneamino]oxamide
CID 4091193
2-[[2-(2,3-dimethylphenoxy)acetyl]amino]-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]benzamide
CID 135752346
N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-(4-methylanilino)acetamide
CID 135479340
4-acetamido-N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]benzamide
CID 136662978
(2S)-N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-(4-methylanilino)propanamide
CID 135830802
N'-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-N-(1-phenylethyl)oxamide
CID 135683234
N-[2-[(4-ethoxyphenyl)carbamoyl]phenyl]-N'-[(Z)-(2-hydroxyphenyl)methylideneamino]oxamide
CID 136808223

Frequently Asked Questions

What is the IUPAC name of N'-[(2-hydroxy-5-nitrophenyl)methylideneamino]-N-[2-[(4-methylphenyl)carbamoyl]phenyl]oxamide?
The IUPAC name of N'-[(2-hydroxy-5-nitrophenyl)methylideneamino]-N-[2-[(4-methylphenyl)carbamoyl]phenyl]oxamide (CID 4148017) is N'-[(2-hydroxy-5-nitrophenyl)methylideneamino]-N-[2-[(4-methylphenyl)carbamoyl]phenyl]oxamide.
What is the SMILES notation for N'-[(2-hydroxy-5-nitrophenyl)methylideneamino]-N-[2-[(4-methylphenyl)carbamoyl]phenyl]oxamide?
The canonical SMILES for N'-[(2-hydroxy-5-nitrophenyl)methylideneamino]-N-[2-[(4-methylphenyl)carbamoyl]phenyl]oxamide is Cc1ccc(NC(=O)c2ccccc2NC(=O)C(=O)NN=Cc2cc([N+](=O)[O-])ccc2O)cc1.
What is the InChIKey of N'-[(2-hydroxy-5-nitrophenyl)methylideneamino]-N-[2-[(4-methylphenyl)carbamoyl]phenyl]oxamide?
The InChIKey is YRWGDIURFLCWTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O6/c1-14-6-8-16(9-7-14)25-21(30)18-4-2-3-5-19(18)26-22(31)23(32)27-24-13-15-12-17(28(33)34)10-11-20(15)29/h2-13,29H,1H3,(H,25,30)(H,26,31)(H,27,32).
What are the key properties of N'-[(2-hydroxy-5-nitrophenyl)methylideneamino]-N-[2-[(4-methylphenyl)carbamoyl]phenyl]oxamide?
N'-[(2-hydroxy-5-nitrophenyl)methylideneamino]-N-[2-[(4-methylphenyl)carbamoyl]phenyl]oxamide has a molecular weight of 461.43 g/mol, XLogP of 2.95, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-hydroxy-5-nitrophenyl)methylideneamino]-N-[2-[(4-methylphenyl)carbamoyl]phenyl]oxamide is sourced from PubChem (CID 4148017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).