N'-[(5-bromo-2-hydroxyphenyl)methylideneamino]-N-[2-[(3-methylphenyl)carbamoyl]phenyl]oxamide

C23H19BrN4O4 — CID 4171439

IUPACN'-[(5-bromo-2-hydroxyphenyl)methylideneamino]-N-[2-[(3-methylphenyl)carbamoyl]phenyl]oxamide
SMILESCc1cccc(NC(=O)c2ccccc2NC(=O)C(=O)NN=Cc2cc(Br)ccc2O)c1
InChIInChI=1S/C23H19BrN4O4/c1-14-5-4-6-17(11-14)26-21(30)18-7-2-3-8-19(18)27-22(31)23(32)28-25-13-15-12-16(24)9-10-20(15)29/h2-13,29H,1H3,(H,26,30)(H,27,31)(H,28,32)
InChIKeyCYWLEKNQEIOYDP-UHFFFAOYSA-N
MW495.33 g/mol
LogP3.80
Rot. Bonds5

About N'-[(5-bromo-2-hydroxyphenyl)methylideneamino]-N-[2-[(3-methylphenyl)carbamoyl]phenyl]oxamide

N'-[(5-bromo-2-hydroxyphenyl)methylideneamino]-N-[2-[(3-methylphenyl)carbamoyl]phenyl]oxamide (PubChem CID 4171439) has the molecular formula C23H19BrN4O4 and a molecular weight of 495.33 g/mol. Its IUPAC name is N'-[(5-bromo-2-hydroxyphenyl)methylideneamino]-N-[2-[(3-methylphenyl)carbamoyl]phenyl]oxamide.

Molecular Properties

Compound NameN'-[(5-bromo-2-hydroxyphenyl)methylideneamino]-N-[2-[(3-methylphenyl)carbamoyl]phenyl]oxamide
PubChem CID4171439
Molecular FormulaC23H19BrN4O4
Molecular Weight495.33 g/mol
Exact Mass494.06
IUPAC NameN'-[(5-bromo-2-hydroxyphenyl)methylideneamino]-N-[2-[(3-methylphenyl)carbamoyl]phenyl]oxamide
SMILESCc1cccc(NC(=O)c2ccccc2NC(=O)C(=O)NN=Cc2cc(Br)ccc2O)c1
InChIInChI=1S/C23H19BrN4O4/c1-14-5-4-6-17(11-14)26-21(30)18-7-2-3-8-19(18)27-22(31)23(32)28-25-13-15-12-16(24)9-10-20(15)29/h2-13,29H,1H3,(H,26,30)(H,27,31)(H,28,32)
InChIKeyCYWLEKNQEIOYDP-UHFFFAOYSA-N
XLogP3.80
TPSA119.89 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.33
LogP ≤ 53.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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

N'-(benzylideneamino)-N-[2-[(3-methylphenyl)carbamoyl]phenyl]oxamide
CID 5060623
[4-bromo-2-[(Z)-[[2-[2-[(3-methylphenyl)carbamoyl]anilino]-2-oxoacetyl]hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate
CID 6173927
N'-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-N-[2-[(3-methylphenyl)carbamoyl]phenyl]oxamide
CID 4201940
N'-[(Z)-(2,6-dichlorophenyl)methylideneamino]-N-[2-[(3-methylphenyl)carbamoyl]phenyl]oxamide
CID 6028561
N'-[(5-chloro-2-hydroxyphenyl)methylideneamino]-N-[2-(phenylcarbamoyl)phenyl]oxamide
CID 4601771
N-[2-[(3-methylphenyl)carbamoyl]phenyl]-N'-[(Z)-thiophen-2-ylmethylideneamino]oxamide
CID 6022812
N'-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-N-[2-[(4-methylphenyl)carbamoyl]phenyl]oxamide
CID 136919379
N'-[(2-hydroxy-5-nitrophenyl)methylideneamino]-N-[2-[(4-methylphenyl)carbamoyl]phenyl]oxamide
CID 4148017
N-[2-[(4-bromophenyl)carbamoyl]phenyl]-N'-[(Z)-(3-bromophenyl)methylideneamino]oxamide
CID 6019349
[4-bromo-2-[(Z)-[[2-[2-[(4-bromophenyl)carbamoyl]anilino]-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 4-methylbenzoate
CID 6042527
N'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(2-ethylphenyl)oxamide
CID 135615725
2-benzamido-N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]benzamide
CID 136677269

Frequently Asked Questions

What is the IUPAC name of N'-[(5-bromo-2-hydroxyphenyl)methylideneamino]-N-[2-[(3-methylphenyl)carbamoyl]phenyl]oxamide?
The IUPAC name of N'-[(5-bromo-2-hydroxyphenyl)methylideneamino]-N-[2-[(3-methylphenyl)carbamoyl]phenyl]oxamide (CID 4171439) is N'-[(5-bromo-2-hydroxyphenyl)methylideneamino]-N-[2-[(3-methylphenyl)carbamoyl]phenyl]oxamide.
What is the SMILES notation for N'-[(5-bromo-2-hydroxyphenyl)methylideneamino]-N-[2-[(3-methylphenyl)carbamoyl]phenyl]oxamide?
The canonical SMILES for N'-[(5-bromo-2-hydroxyphenyl)methylideneamino]-N-[2-[(3-methylphenyl)carbamoyl]phenyl]oxamide is Cc1cccc(NC(=O)c2ccccc2NC(=O)C(=O)NN=Cc2cc(Br)ccc2O)c1.
What is the InChIKey of N'-[(5-bromo-2-hydroxyphenyl)methylideneamino]-N-[2-[(3-methylphenyl)carbamoyl]phenyl]oxamide?
The InChIKey is CYWLEKNQEIOYDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19BrN4O4/c1-14-5-4-6-17(11-14)26-21(30)18-7-2-3-8-19(18)27-22(31)23(32)28-25-13-15-12-16(24)9-10-20(15)29/h2-13,29H,1H3,(H,26,30)(H,27,31)(H,28,32).
What are the key properties of N'-[(5-bromo-2-hydroxyphenyl)methylideneamino]-N-[2-[(3-methylphenyl)carbamoyl]phenyl]oxamide?
N'-[(5-bromo-2-hydroxyphenyl)methylideneamino]-N-[2-[(3-methylphenyl)carbamoyl]phenyl]oxamide has a molecular weight of 495.33 g/mol, XLogP of 3.80, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(5-bromo-2-hydroxyphenyl)methylideneamino]-N-[2-[(3-methylphenyl)carbamoyl]phenyl]oxamide is sourced from PubChem (CID 4171439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).