N'-[(5-chloro-2-hydroxyphenyl)methylideneamino]-N-[2-(phenylcarbamoyl)phenyl]oxamide

C22H17ClN4O4 — CID 4601771

IUPACN'-[(5-chloro-2-hydroxyphenyl)methylideneamino]-N-[2-(phenylcarbamoyl)phenyl]oxamide
SMILESO=C(NN=Cc1cc(Cl)ccc1O)C(=O)Nc1ccccc1C(=O)Nc1ccccc1
InChIInChI=1S/C22H17ClN4O4/c23-15-10-11-19(28)14(12-15)13-24-27-22(31)21(30)26-18-9-5-4-8-17(18)20(29)25-16-6-2-1-3-7-16/h1-13,28H,(H,25,29)(H,26,30)(H,27,31)
InChIKeyLBSIGRXADJPBLK-UHFFFAOYSA-N
MW436.86 g/mol
LogP3.39
Rot. Bonds5

About N'-[(5-chloro-2-hydroxyphenyl)methylideneamino]-N-[2-(phenylcarbamoyl)phenyl]oxamide

N'-[(5-chloro-2-hydroxyphenyl)methylideneamino]-N-[2-(phenylcarbamoyl)phenyl]oxamide (PubChem CID 4601771) has the molecular formula C22H17ClN4O4 and a molecular weight of 436.86 g/mol. Its IUPAC name is N'-[(5-chloro-2-hydroxyphenyl)methylideneamino]-N-[2-(phenylcarbamoyl)phenyl]oxamide.

Molecular Properties

Compound NameN'-[(5-chloro-2-hydroxyphenyl)methylideneamino]-N-[2-(phenylcarbamoyl)phenyl]oxamide
PubChem CID4601771
Molecular FormulaC22H17ClN4O4
Molecular Weight436.86 g/mol
Exact Mass436.09
IUPAC NameN'-[(5-chloro-2-hydroxyphenyl)methylideneamino]-N-[2-(phenylcarbamoyl)phenyl]oxamide
SMILESO=C(NN=Cc1cc(Cl)ccc1O)C(=O)Nc1ccccc1C(=O)Nc1ccccc1
InChIInChI=1S/C22H17ClN4O4/c23-15-10-11-19(28)14(12-15)13-24-27-22(31)21(30)26-18-9-5-4-8-17(18)20(29)25-16-6-2-1-3-7-16/h1-13,28H,(H,25,29)(H,26,30)(H,27,31)
InChIKeyLBSIGRXADJPBLK-UHFFFAOYSA-N
XLogP3.39
TPSA119.89 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.86
LogP ≤ 53.39
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-[2-[(4-bromophenyl)carbamoyl]phenyl]-N'-[(2,4-dichlorophenyl)methylideneamino]oxamide
CID 4549616
N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-N'-[(Z)-(2-chlorophenyl)methylideneamino]oxamide
CID 6161305
N'-[(5-bromo-2-hydroxyphenyl)methylideneamino]-N-[2-[(3-methylphenyl)carbamoyl]phenyl]oxamide
CID 4171439
N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-N'-[(4-hydroxy-3-methoxyphenyl)methylideneamino]oxamide
CID 5049729
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-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2-hydroxybenzamide
CID 135641867
N'-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-N-[2-(phenylcarbamoyl)phenyl]oxamide
CID 3644481
N-[2-[(4-ethoxyphenyl)carbamoyl]phenyl]-N'-[(Z)-(2-hydroxyphenyl)methylideneamino]oxamide
CID 136808223
N-[2-(phenylcarbamoyl)phenyl]-N'-[(E)-(2-phenylmethoxyphenyl)methylideneamino]oxamide
CID 45054984
N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-N'-[(4-nitrophenyl)methylideneamino]oxamide
CID 4091193
N'-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-N-[2-[(4-chlorophenyl)carbamoyl]phenyl]oxamide
CID 6260851

Frequently Asked Questions

What is the IUPAC name of N'-[(5-chloro-2-hydroxyphenyl)methylideneamino]-N-[2-(phenylcarbamoyl)phenyl]oxamide?
The IUPAC name of N'-[(5-chloro-2-hydroxyphenyl)methylideneamino]-N-[2-(phenylcarbamoyl)phenyl]oxamide (CID 4601771) is N'-[(5-chloro-2-hydroxyphenyl)methylideneamino]-N-[2-(phenylcarbamoyl)phenyl]oxamide.
What is the SMILES notation for N'-[(5-chloro-2-hydroxyphenyl)methylideneamino]-N-[2-(phenylcarbamoyl)phenyl]oxamide?
The canonical SMILES for N'-[(5-chloro-2-hydroxyphenyl)methylideneamino]-N-[2-(phenylcarbamoyl)phenyl]oxamide is O=C(NN=Cc1cc(Cl)ccc1O)C(=O)Nc1ccccc1C(=O)Nc1ccccc1.
What is the InChIKey of N'-[(5-chloro-2-hydroxyphenyl)methylideneamino]-N-[2-(phenylcarbamoyl)phenyl]oxamide?
The InChIKey is LBSIGRXADJPBLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN4O4/c23-15-10-11-19(28)14(12-15)13-24-27-22(31)21(30)26-18-9-5-4-8-17(18)20(29)25-16-6-2-1-3-7-16/h1-13,28H,(H,25,29)(H,26,30)(H,27,31).
What are the key properties of N'-[(5-chloro-2-hydroxyphenyl)methylideneamino]-N-[2-(phenylcarbamoyl)phenyl]oxamide?
N'-[(5-chloro-2-hydroxyphenyl)methylideneamino]-N-[2-(phenylcarbamoyl)phenyl]oxamide has a molecular weight of 436.86 g/mol, XLogP of 3.39, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(5-chloro-2-hydroxyphenyl)methylideneamino]-N-[2-(phenylcarbamoyl)phenyl]oxamide is sourced from PubChem (CID 4601771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).