N'-[(Z)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-N-(5-chloro-2-methoxyphenyl)oxamide

C24H21ClN4O5 — CID 94832882

IUPACN'-[(Z)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-N-(5-chloro-2-methoxyphenyl)oxamide
SMILESCOc1ccc(Cl)cc1NC(=O)C(=O)N/N=C\c1ccc(OCC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C24H21ClN4O5/c1-33-21-12-9-17(25)13-20(21)28-23(31)24(32)29-26-14-16-7-10-19(11-8-16)34-15-22(30)27-18-5-3-2-4-6-18/h2-14H,15H2,1H3,(H,27,30)(H,28,31)(H,29,32)/b26-14-
InChIKeyWYDVMXOGXOAIEC-WGARJPEWSA-N
MW480.91 g/mol
LogP3.45
Rot. Bonds8

About N'-[(Z)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-N-(5-chloro-2-methoxyphenyl)oxamide

N'-[(Z)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-N-(5-chloro-2-methoxyphenyl)oxamide (PubChem CID 94832882) has the molecular formula C24H21ClN4O5 and a molecular weight of 480.91 g/mol. Its IUPAC name is N'-[(Z)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-N-(5-chloro-2-methoxyphenyl)oxamide.

Molecular Properties

Compound NameN'-[(Z)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-N-(5-chloro-2-methoxyphenyl)oxamide
PubChem CID94832882
Molecular FormulaC24H21ClN4O5
Molecular Weight480.91 g/mol
Exact Mass480.12
IUPAC NameN'-[(Z)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-N-(5-chloro-2-methoxyphenyl)oxamide
SMILESCOc1ccc(Cl)cc1NC(=O)C(=O)N/N=C\c1ccc(OCC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C24H21ClN4O5/c1-33-21-12-9-17(25)13-20(21)28-23(31)24(32)29-26-14-16-7-10-19(11-8-16)34-15-22(30)27-18-5-3-2-4-6-18/h2-14H,15H2,1H3,(H,27,30)(H,28,31)(H,29,32)/b26-14-
InChIKeyWYDVMXOGXOAIEC-WGARJPEWSA-N
XLogP3.45
TPSA118.12 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.91
LogP ≤ 53.45
H-Bond Donors ≤ 53
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-(5-chloro-2-methoxyphenyl)-N'-[(Z)-[4-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 94832886
N-(4-chlorophenyl)-N'-[(Z)-[4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 94832736
N'-[(E)-[4-[2-(4-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-methylphenyl)oxamide
CID 6893019
N'-[(Z)-[4-[2-(2,4-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-methoxyphenyl)oxamide
CID 126267085
N'-[(Z)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-N-(3,4-dichlorophenyl)oxamide
CID 94832791
N'-[(Z)-[4-[2-(5-chloro-2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(3-chlorophenyl)oxamide
CID 126264692
N'-[(Z)-[4-[2-(3-chloro-2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-methoxyphenyl)oxamide
CID 126160920
2-[4-[[[2-(2-methoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 4097734
N-(5-chloro-2-methoxyphenyl)-2-(4-phenylphenoxy)acetamide
CID 1193872
2-[4-[(Z)-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]phenoxy]-N-phenylacetamide
CID 5429334
N'-[[4-[2-(2,4-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-methylphenyl)oxamide
CID 3464017
N-(2-methoxyphenyl)-2-[4-[(E)-(phenylcarbamothioylhydrazinylidene)methyl]phenoxy]acetamide
CID 38052244

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-N-(5-chloro-2-methoxyphenyl)oxamide?
The IUPAC name of N'-[(Z)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-N-(5-chloro-2-methoxyphenyl)oxamide (CID 94832882) is N'-[(Z)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-N-(5-chloro-2-methoxyphenyl)oxamide.
What is the SMILES notation for N'-[(Z)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-N-(5-chloro-2-methoxyphenyl)oxamide?
The canonical SMILES for N'-[(Z)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-N-(5-chloro-2-methoxyphenyl)oxamide is COc1ccc(Cl)cc1NC(=O)C(=O)N/N=C\c1ccc(OCC(=O)Nc2ccccc2)cc1.
What is the InChIKey of N'-[(Z)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-N-(5-chloro-2-methoxyphenyl)oxamide?
The InChIKey is WYDVMXOGXOAIEC-WGARJPEWSA-N. The full InChI is InChI=1S/C24H21ClN4O5/c1-33-21-12-9-17(25)13-20(21)28-23(31)24(32)29-26-14-16-7-10-19(11-8-16)34-15-22(30)27-18-5-3-2-4-6-18/h2-14H,15H2,1H3,(H,27,30)(H,28,31)(H,29,32)/b26-14-.
What are the key properties of N'-[(Z)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-N-(5-chloro-2-methoxyphenyl)oxamide?
N'-[(Z)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-N-(5-chloro-2-methoxyphenyl)oxamide has a molecular weight of 480.91 g/mol, XLogP of 3.45, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-N-(5-chloro-2-methoxyphenyl)oxamide is sourced from PubChem (CID 94832882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).