N'-[(Z)-(2,4-dichlorophenyl)methylideneamino]-N-(4-phenoxyphenyl)oxamide

C21H15Cl2N3O3 — CID 94846395

IUPACN'-[(Z)-(2,4-dichlorophenyl)methylideneamino]-N-(4-phenoxyphenyl)oxamide
SMILESO=C(N/N=C\c1ccc(Cl)cc1Cl)C(=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C21H15Cl2N3O3/c22-15-7-6-14(19(23)12-15)13-24-26-21(28)20(27)25-16-8-10-18(11-9-16)29-17-4-2-1-3-5-17/h1-13H,(H,25,27)(H,26,28)/b24-13-
InChIKeyMMYRTTZNLLXSRG-CFRMEGHHSA-N
MW428.28 g/mol
LogP4.87
Rot. Bonds5

About N'-[(Z)-(2,4-dichlorophenyl)methylideneamino]-N-(4-phenoxyphenyl)oxamide

N'-[(Z)-(2,4-dichlorophenyl)methylideneamino]-N-(4-phenoxyphenyl)oxamide (PubChem CID 94846395) has the molecular formula C21H15Cl2N3O3 and a molecular weight of 428.28 g/mol. Its IUPAC name is N'-[(Z)-(2,4-dichlorophenyl)methylideneamino]-N-(4-phenoxyphenyl)oxamide.

Molecular Properties

Compound NameN'-[(Z)-(2,4-dichlorophenyl)methylideneamino]-N-(4-phenoxyphenyl)oxamide
PubChem CID94846395
Molecular FormulaC21H15Cl2N3O3
Molecular Weight428.28 g/mol
Exact Mass427.05
IUPAC NameN'-[(Z)-(2,4-dichlorophenyl)methylideneamino]-N-(4-phenoxyphenyl)oxamide
SMILESO=C(N/N=C\c1ccc(Cl)cc1Cl)C(=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C21H15Cl2N3O3/c22-15-7-6-14(19(23)12-15)13-24-26-21(28)20(27)25-16-8-10-18(11-9-16)29-17-4-2-1-3-5-17/h1-13H,(H,25,27)(H,26,28)/b24-13-
InChIKeyMMYRTTZNLLXSRG-CFRMEGHHSA-N
XLogP4.87
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.28
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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-dichlorophenyl)methylideneamino]-N-(4-ethoxyphenyl)oxamide
CID 2244299
N'-[(Z)-(2,4-dichlorophenyl)methylideneamino]-N-(4-fluorophenyl)oxamide
CID 6084385
N-(4-carbamoylphenyl)-N'-[(E)-(2,4-dichlorophenyl)methylideneamino]oxamide
CID 19660758
N'-[(Z)-(2,4-dichlorophenyl)methylideneamino]-N-(4-nitrophenyl)oxamide
CID 94833575
N'-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-N-(4-phenoxyphenyl)oxamide
CID 94846398
N'-[(E)-(2,4-dichlorophenyl)methylideneamino]-N-(2-methoxyphenyl)oxamide
CID 5334540
N'-[(Z)-(2,4-dichlorophenyl)methylideneamino]-N-naphthalen-1-yloxamide
CID 6286421
N'-(3-chlorophenyl)-N-(4-phenoxyphenyl)oxamide
CID 44996265
N-[2-[(4-bromophenyl)carbamoyl]phenyl]-N'-[(2,4-dichlorophenyl)methylideneamino]oxamide
CID 4549616
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
CID 6896579
[(2,4-dichlorophenyl)methylideneamino]carbamic acid
CID 70469242
N-(5-chloro-2-methylphenyl)-N'-[(E)-(2,4-dichlorophenyl)methylideneamino]oxamide
CID 56698653

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-(2,4-dichlorophenyl)methylideneamino]-N-(4-phenoxyphenyl)oxamide?
The IUPAC name of N'-[(Z)-(2,4-dichlorophenyl)methylideneamino]-N-(4-phenoxyphenyl)oxamide (CID 94846395) is N'-[(Z)-(2,4-dichlorophenyl)methylideneamino]-N-(4-phenoxyphenyl)oxamide.
What is the SMILES notation for N'-[(Z)-(2,4-dichlorophenyl)methylideneamino]-N-(4-phenoxyphenyl)oxamide?
The canonical SMILES for N'-[(Z)-(2,4-dichlorophenyl)methylideneamino]-N-(4-phenoxyphenyl)oxamide is O=C(N/N=C\c1ccc(Cl)cc1Cl)C(=O)Nc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of N'-[(Z)-(2,4-dichlorophenyl)methylideneamino]-N-(4-phenoxyphenyl)oxamide?
The InChIKey is MMYRTTZNLLXSRG-CFRMEGHHSA-N. The full InChI is InChI=1S/C21H15Cl2N3O3/c22-15-7-6-14(19(23)12-15)13-24-26-21(28)20(27)25-16-8-10-18(11-9-16)29-17-4-2-1-3-5-17/h1-13H,(H,25,27)(H,26,28)/b24-13-.
What are the key properties of N'-[(Z)-(2,4-dichlorophenyl)methylideneamino]-N-(4-phenoxyphenyl)oxamide?
N'-[(Z)-(2,4-dichlorophenyl)methylideneamino]-N-(4-phenoxyphenyl)oxamide has a molecular weight of 428.28 g/mol, XLogP of 4.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-(2,4-dichlorophenyl)methylideneamino]-N-(4-phenoxyphenyl)oxamide is sourced from PubChem (CID 94846395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).