N'-[(E)-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-N-(5-chloro-2-methoxyphenyl)oxamide

C24H20Cl2FN3O5 — CID 19661226

IUPACN'-[(E)-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-N-(5-chloro-2-methoxyphenyl)oxamide
SMILESCOc1ccc(Cl)cc1NC(=O)C(=O)N/N=C/c1ccc(OCc2c(F)cccc2Cl)c(OC)c1
InChIInChI=1S/C24H20Cl2FN3O5/c1-33-20-9-7-15(25)11-19(20)29-23(31)24(32)30-28-12-14-6-8-21(22(10-14)34-2)35-13-16-17(26)4-3-5-18(16)27/h3-12H,13H2,1-2H3,(H,29,31)(H,30,32)/b28-12+
InChIKeySPNQFMMJRFKXNE-KVSWJAHQSA-N
MW520.34 g/mol
LogP4.82
Rot. Bonds8

About N'-[(E)-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-N-(5-chloro-2-methoxyphenyl)oxamide

N'-[(E)-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-N-(5-chloro-2-methoxyphenyl)oxamide (PubChem CID 19661226) has the molecular formula C24H20Cl2FN3O5 and a molecular weight of 520.34 g/mol. Its IUPAC name is N'-[(E)-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-N-(5-chloro-2-methoxyphenyl)oxamide.

Molecular Properties

Compound NameN'-[(E)-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-N-(5-chloro-2-methoxyphenyl)oxamide
PubChem CID19661226
Molecular FormulaC24H20Cl2FN3O5
Molecular Weight520.34 g/mol
Exact Mass519.08
IUPAC NameN'-[(E)-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-N-(5-chloro-2-methoxyphenyl)oxamide
SMILESCOc1ccc(Cl)cc1NC(=O)C(=O)N/N=C/c1ccc(OCc2c(F)cccc2Cl)c(OC)c1
InChIInChI=1S/C24H20Cl2FN3O5/c1-33-20-9-7-15(25)11-19(20)29-23(31)24(32)30-28-12-14-6-8-21(22(10-14)34-2)35-13-16-17(26)4-3-5-18(16)27/h3-12H,13H2,1-2H3,(H,29,31)(H,30,32)/b28-12+
InChIKeySPNQFMMJRFKXNE-KVSWJAHQSA-N
XLogP4.82
TPSA98.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.34
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-(2,3-dichlorophenyl)-N'-[(Z)-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]oxamide
CID 124540731
N'-[[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-N-(2,5-dimethylphenyl)oxamide
CID 5240657
2-amino-N-[(E)-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]benzamide
CID 110339039
N-(4-bromo-2-fluorophenyl)-N'-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]oxamide
CID 3345928
N-(5-chloro-2-methylphenyl)-N'-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]oxamide
CID 6302384
N-(2-chlorophenyl)-N'-[(3,4-dimethoxyphenyl)methylideneamino]oxamide
CID 4992748
2-[(E)-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]guanidine
CID 110339029
N-(5-chloro-2-methoxyphenyl)-N'-[(Z)-(4-methylsulfanylphenyl)methylideneamino]oxamide
CID 94847462
N-[(E)-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]benzamide
CID 110507173
N'-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-N-(3,5-dichlorophenyl)oxamide
CID 3611008
2-(3-chlorophenoxy)-N-[(E)-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]acetamide
CID 19190403
N-[2-chloro-5-(trifluoromethyl)phenyl]-N'-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]oxamide
CID 5203733

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-N-(5-chloro-2-methoxyphenyl)oxamide?
The IUPAC name of N'-[(E)-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-N-(5-chloro-2-methoxyphenyl)oxamide (CID 19661226) is N'-[(E)-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-N-(5-chloro-2-methoxyphenyl)oxamide.
What is the SMILES notation for N'-[(E)-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-N-(5-chloro-2-methoxyphenyl)oxamide?
The canonical SMILES for N'-[(E)-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-N-(5-chloro-2-methoxyphenyl)oxamide is COc1ccc(Cl)cc1NC(=O)C(=O)N/N=C/c1ccc(OCc2c(F)cccc2Cl)c(OC)c1.
What is the InChIKey of N'-[(E)-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-N-(5-chloro-2-methoxyphenyl)oxamide?
The InChIKey is SPNQFMMJRFKXNE-KVSWJAHQSA-N. The full InChI is InChI=1S/C24H20Cl2FN3O5/c1-33-20-9-7-15(25)11-19(20)29-23(31)24(32)30-28-12-14-6-8-21(22(10-14)34-2)35-13-16-17(26)4-3-5-18(16)27/h3-12H,13H2,1-2H3,(H,29,31)(H,30,32)/b28-12+.
What are the key properties of N'-[(E)-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-N-(5-chloro-2-methoxyphenyl)oxamide?
N'-[(E)-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-N-(5-chloro-2-methoxyphenyl)oxamide has a molecular weight of 520.34 g/mol, XLogP of 4.82, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-N-(5-chloro-2-methoxyphenyl)oxamide is sourced from PubChem (CID 19661226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).