N'-[(Z)-[4-[2-(2,4-dichloroanilino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]-N-(furan-2-ylmethyl)oxamide

C24H22Cl2N4O6 — CID 126270056

IUPACN'-[(Z)-[4-[2-(2,4-dichloroanilino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]-N-(furan-2-ylmethyl)oxamide
SMILESCCOc1cc(/C=N\NC(=O)C(=O)NCc2ccco2)ccc1OCC(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C24H22Cl2N4O6/c1-2-34-21-10-15(12-28-30-24(33)23(32)27-13-17-4-3-9-35-17)5-8-20(21)36-14-22(31)29-19-7-6-16(25)11-18(19)26/h3-12H,2,13-14H2,1H3,(H,27,32)(H,29,31)(H,30,33)/b28-12-
InChIKeyJHTURWWXJDHSKL-NVJOKUIPSA-N
MW533.37 g/mol
LogP3.77
Rot. Bonds10

About N'-[(Z)-[4-[2-(2,4-dichloroanilino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]-N-(furan-2-ylmethyl)oxamide

N'-[(Z)-[4-[2-(2,4-dichloroanilino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]-N-(furan-2-ylmethyl)oxamide (PubChem CID 126270056) has the molecular formula C24H22Cl2N4O6 and a molecular weight of 533.37 g/mol. Its IUPAC name is N'-[(Z)-[4-[2-(2,4-dichloroanilino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]-N-(furan-2-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-[(Z)-[4-[2-(2,4-dichloroanilino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]-N-(furan-2-ylmethyl)oxamide
PubChem CID126270056
Molecular FormulaC24H22Cl2N4O6
Molecular Weight533.37 g/mol
Exact Mass532.09
IUPAC NameN'-[(Z)-[4-[2-(2,4-dichloroanilino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]-N-(furan-2-ylmethyl)oxamide
SMILESCCOc1cc(/C=N\NC(=O)C(=O)NCc2ccco2)ccc1OCC(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C24H22Cl2N4O6/c1-2-34-21-10-15(12-28-30-24(33)23(32)27-13-17-4-3-9-35-17)5-8-20(21)36-14-22(31)29-19-7-6-16(25)11-18(19)26/h3-12H,2,13-14H2,1H3,(H,27,32)(H,29,31)(H,30,33)/b28-12-
InChIKeyJHTURWWXJDHSKL-NVJOKUIPSA-N
XLogP3.77
TPSA131.26 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500533.37
LogP ≤ 53.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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'-[(Z)-[3-ethoxy-4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethoxy]phenyl]methylideneamino]-N-(furan-2-ylmethyl)oxamide
CID 126260161
N'-[(Z)-[3-chloro-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(furan-2-ylmethyl)oxamide
CID 126276295
N'-[(Z)-[3-chloro-4-[2-(5-chloro-2-methylanilino)-2-oxoethoxy]-5-methoxyphenyl]methylideneamino]-N-(furan-2-ylmethyl)oxamide
CID 126260978
N'-[(Z)-[3-chloro-4-[2-(4-chloroanilino)-2-oxoethoxy]-5-methoxyphenyl]methylideneamino]-N-(furan-2-ylmethyl)oxamide
CID 126265889
N'-[(Z)-[4-[2-(2-chloroanilino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]-N-propyloxamide
CID 126162386
N'-[(Z)-[4-[2-(5-chloro-2-methylanilino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]-N-ethyloxamide
CID 126175981
N-(furan-2-ylmethyl)-N'-[(Z)-[3-methoxy-4-[2-(3-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 126258731
N-(furan-2-ylmethyl)-N'-[(Z)-(4-methoxy-3-propoxyphenyl)methylideneamino]oxamide
CID 9352957
N'-[(Z)-[4-[2-(4-bromoanilino)-2-oxoethoxy]-3-ethoxy-5-iodophenyl]methylideneamino]-N-(furan-2-ylmethyl)oxamide
CID 126159128
N'-[(Z)-[4-[2-(3,5-dichloroanilino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]-N-ethyloxamide
CID 126161835
N'-[(Z)-[4-[2-(4-chloroanilino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]-N-(2-methylpropyl)oxamide
CID 126181022
N'-[(Z)-[3-ethoxy-5-iodo-4-[2-(3-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(furan-2-ylmethyl)oxamide
CID 126157341

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-[4-[2-(2,4-dichloroanilino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]-N-(furan-2-ylmethyl)oxamide?
The IUPAC name of N'-[(Z)-[4-[2-(2,4-dichloroanilino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]-N-(furan-2-ylmethyl)oxamide (CID 126270056) is N'-[(Z)-[4-[2-(2,4-dichloroanilino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]-N-(furan-2-ylmethyl)oxamide.
What is the SMILES notation for N'-[(Z)-[4-[2-(2,4-dichloroanilino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]-N-(furan-2-ylmethyl)oxamide?
The canonical SMILES for N'-[(Z)-[4-[2-(2,4-dichloroanilino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]-N-(furan-2-ylmethyl)oxamide is CCOc1cc(/C=N\NC(=O)C(=O)NCc2ccco2)ccc1OCC(=O)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of N'-[(Z)-[4-[2-(2,4-dichloroanilino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]-N-(furan-2-ylmethyl)oxamide?
The InChIKey is JHTURWWXJDHSKL-NVJOKUIPSA-N. The full InChI is InChI=1S/C24H22Cl2N4O6/c1-2-34-21-10-15(12-28-30-24(33)23(32)27-13-17-4-3-9-35-17)5-8-20(21)36-14-22(31)29-19-7-6-16(25)11-18(19)26/h3-12H,2,13-14H2,1H3,(H,27,32)(H,29,31)(H,30,33)/b28-12-.
What are the key properties of N'-[(Z)-[4-[2-(2,4-dichloroanilino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]-N-(furan-2-ylmethyl)oxamide?
N'-[(Z)-[4-[2-(2,4-dichloroanilino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]-N-(furan-2-ylmethyl)oxamide has a molecular weight of 533.37 g/mol, XLogP of 3.77, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-[4-[2-(2,4-dichloroanilino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]-N-(furan-2-ylmethyl)oxamide is sourced from PubChem (CID 126270056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).