N-(5-chloro-2-methylphenyl)-N'-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]oxamide

C23H20ClN3O3 — CID 126013831

IUPACN-(5-chloro-2-methylphenyl)-N'-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]oxamide
SMILESCc1ccc(Cl)cc1NC(=O)C(=O)N/N=C\c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C23H20ClN3O3/c1-16-10-11-19(24)13-21(16)26-22(28)23(29)27-25-14-18-8-5-9-20(12-18)30-15-17-6-3-2-4-7-17/h2-14H,15H2,1H3,(H,26,28)(H,27,29)/b25-14-
InChIKeyVVFODBLWBJFGPF-QFEZKATASA-N
MW421.88 g/mol
LogP4.32
Rot. Bonds6

About N-(5-chloro-2-methylphenyl)-N'-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]oxamide

N-(5-chloro-2-methylphenyl)-N'-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]oxamide (PubChem CID 126013831) has the molecular formula C23H20ClN3O3 and a molecular weight of 421.88 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-N'-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-N'-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]oxamide
PubChem CID126013831
Molecular FormulaC23H20ClN3O3
Molecular Weight421.88 g/mol
Exact Mass421.12
IUPAC NameN-(5-chloro-2-methylphenyl)-N'-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]oxamide
SMILESCc1ccc(Cl)cc1NC(=O)C(=O)N/N=C\c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C23H20ClN3O3/c1-16-10-11-19(24)13-21(16)26-22(28)23(29)27-25-14-18-8-5-9-20(12-18)30-15-17-6-3-2-4-7-17/h2-14H,15H2,1H3,(H,26,28)(H,27,29)/b25-14-
InChIKeyVVFODBLWBJFGPF-QFEZKATASA-N
XLogP4.32
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.88
LogP ≤ 54.32
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'-[(E)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(2,4-dimethylphenyl)oxamide
CID 19659884
N-(3-chloro-2-methylphenyl)-N'-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]oxamide
CID 4608595
N-(4-methylphenyl)-N'-[(3-phenylmethoxyphenyl)methylideneamino]oxamide
CID 3704074
N'-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(4-methylphenyl)oxamide
CID 3715481
N-(3-methylphenyl)-N'-[(E)-(3-phenylmethoxyphenyl)methylideneamino]oxamide
CID 45055326
N-(4-ethylphenyl)-N'-[(3-phenylmethoxyphenyl)methylideneamino]oxamide
CID 3300834
N'-[[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(2-methylphenyl)oxamide
CID 4107522
N'-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(4-ethoxyphenyl)oxamide
CID 6028508
N'-[(Z)-(3-ethoxyphenyl)methylideneamino]-N-(2-methylphenyl)oxamide
CID 8932252
N-(2,5-dichlorophenyl)-N'-[(E)-[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]oxamide
CID 19660101
methyl 4-[[2-oxo-2-[(2Z)-2-[(3-phenylmethoxyphenyl)methylidene]hydrazinyl]acetyl]amino]benzoate
CID 133240898
N-(2,6-dimethylphenyl)-N'-[[3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]oxamide
CID 5082451

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-N'-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]oxamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-N'-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]oxamide (CID 126013831) is N-(5-chloro-2-methylphenyl)-N'-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]oxamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-N'-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]oxamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-N'-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]oxamide is Cc1ccc(Cl)cc1NC(=O)C(=O)N/N=C\c1cccc(OCc2ccccc2)c1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-N'-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]oxamide?
The InChIKey is VVFODBLWBJFGPF-QFEZKATASA-N. The full InChI is InChI=1S/C23H20ClN3O3/c1-16-10-11-19(24)13-21(16)26-22(28)23(29)27-25-14-18-8-5-9-20(12-18)30-15-17-6-3-2-4-7-17/h2-14H,15H2,1H3,(H,26,28)(H,27,29)/b25-14-.
What are the key properties of N-(5-chloro-2-methylphenyl)-N'-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]oxamide?
N-(5-chloro-2-methylphenyl)-N'-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]oxamide has a molecular weight of 421.88 g/mol, XLogP of 4.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-N'-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]oxamide is sourced from PubChem (CID 126013831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).