N'-[(Z)-[3-chloro-4-[2-(4-chloroanilino)-2-oxoethoxy]-5-methoxyphenyl]methylideneamino]-N-(furan-2-ylmethyl)oxamide

C23H20Cl2N4O6 — CID 126265889

IUPACN'-[(Z)-[3-chloro-4-[2-(4-chloroanilino)-2-oxoethoxy]-5-methoxyphenyl]methylideneamino]-N-(furan-2-ylmethyl)oxamide
SMILESCOc1cc(/C=N\NC(=O)C(=O)NCc2ccco2)cc(Cl)c1OCC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C23H20Cl2N4O6/c1-33-19-10-14(11-27-29-23(32)22(31)26-12-17-3-2-8-34-17)9-18(25)21(19)35-13-20(30)28-16-6-4-15(24)5-7-16/h2-11H,12-13H2,1H3,(H,26,31)(H,28,30)(H,29,32)/b27-11-
InChIKeyDETZDXQIDVUSFY-BCHBDCPOSA-N
MW519.34 g/mol
LogP3.38
Rot. Bonds9

About N'-[(Z)-[3-chloro-4-[2-(4-chloroanilino)-2-oxoethoxy]-5-methoxyphenyl]methylideneamino]-N-(furan-2-ylmethyl)oxamide

N'-[(Z)-[3-chloro-4-[2-(4-chloroanilino)-2-oxoethoxy]-5-methoxyphenyl]methylideneamino]-N-(furan-2-ylmethyl)oxamide (PubChem CID 126265889) has the molecular formula C23H20Cl2N4O6 and a molecular weight of 519.34 g/mol. Its IUPAC name is N'-[(Z)-[3-chloro-4-[2-(4-chloroanilino)-2-oxoethoxy]-5-methoxyphenyl]methylideneamino]-N-(furan-2-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-[(Z)-[3-chloro-4-[2-(4-chloroanilino)-2-oxoethoxy]-5-methoxyphenyl]methylideneamino]-N-(furan-2-ylmethyl)oxamide
PubChem CID126265889
Molecular FormulaC23H20Cl2N4O6
Molecular Weight519.34 g/mol
Exact Mass518.08
IUPAC NameN'-[(Z)-[3-chloro-4-[2-(4-chloroanilino)-2-oxoethoxy]-5-methoxyphenyl]methylideneamino]-N-(furan-2-ylmethyl)oxamide
SMILESCOc1cc(/C=N\NC(=O)C(=O)NCc2ccco2)cc(Cl)c1OCC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C23H20Cl2N4O6/c1-33-19-10-14(11-27-29-23(32)22(31)26-12-17-3-2-8-34-17)9-18(25)21(19)35-13-20(30)28-16-6-4-15(24)5-7-16/h2-11H,12-13H2,1H3,(H,26,31)(H,28,30)(H,29,32)/b27-11-
InChIKeyDETZDXQIDVUSFY-BCHBDCPOSA-N
XLogP3.38
TPSA131.26 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.34
LogP ≤ 53.38
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-chloro-4-[2-(5-chloro-2-methylanilino)-2-oxoethoxy]-5-methoxyphenyl]methylideneamino]-N-(furan-2-ylmethyl)oxamide
CID 126260978
N'-[(Z)-[4-[2-(4-bromoanilino)-2-oxoethoxy]-3-iodo-5-methoxyphenyl]methylideneamino]-N-(furan-2-ylmethyl)oxamide
CID 126161367
N'-[(Z)-[3-chloro-4-(difluoromethoxy)-5-methoxyphenyl]methylideneamino]-N-(furan-2-ylmethyl)oxamide
CID 9352968
N'-[(Z)-[3-bromo-4-[2-(3-chloro-2-methylanilino)-2-oxoethoxy]-5-methoxyphenyl]methylideneamino]-N-(furan-2-ylmethyl)oxamide
CID 126162996
N'-[(Z)-[4-(2-anilino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]methylideneamino]-N-ethyloxamide
CID 126170325
N'-[(Z)-[3-chloro-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(furan-2-ylmethyl)oxamide
CID 126276295
N-[(2S)-butan-2-yl]-N'-[(Z)-[3-chloro-4-[2-(4-chloroanilino)-2-oxoethoxy]-5-methoxyphenyl]methylideneamino]oxamide
CID 126261129
N'-[(Z)-[4-(2-anilino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]methylideneamino]-N-(2-methoxyethyl)oxamide
CID 126164747
N-(furan-2-ylmethyl)-N'-[(Z)-[3-methoxy-4-[2-(3-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 126258731
N'-[(Z)-[4-[2-(4-bromoanilino)-2-oxoethoxy]-3-ethoxy-5-iodophenyl]methylideneamino]-N-(furan-2-ylmethyl)oxamide
CID 126159128
N'-[(Z)-[4-[2-(2,4-dichloroanilino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]-N-(furan-2-ylmethyl)oxamide
CID 126270056
N'-[(Z)-(3-bromo-4,5-dimethoxyphenyl)methylideneamino]-N-(furan-2-ylmethyl)oxamide
CID 8900540

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-[3-chloro-4-[2-(4-chloroanilino)-2-oxoethoxy]-5-methoxyphenyl]methylideneamino]-N-(furan-2-ylmethyl)oxamide?
The IUPAC name of N'-[(Z)-[3-chloro-4-[2-(4-chloroanilino)-2-oxoethoxy]-5-methoxyphenyl]methylideneamino]-N-(furan-2-ylmethyl)oxamide (CID 126265889) is N'-[(Z)-[3-chloro-4-[2-(4-chloroanilino)-2-oxoethoxy]-5-methoxyphenyl]methylideneamino]-N-(furan-2-ylmethyl)oxamide.
What is the SMILES notation for N'-[(Z)-[3-chloro-4-[2-(4-chloroanilino)-2-oxoethoxy]-5-methoxyphenyl]methylideneamino]-N-(furan-2-ylmethyl)oxamide?
The canonical SMILES for N'-[(Z)-[3-chloro-4-[2-(4-chloroanilino)-2-oxoethoxy]-5-methoxyphenyl]methylideneamino]-N-(furan-2-ylmethyl)oxamide is COc1cc(/C=N\NC(=O)C(=O)NCc2ccco2)cc(Cl)c1OCC(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N'-[(Z)-[3-chloro-4-[2-(4-chloroanilino)-2-oxoethoxy]-5-methoxyphenyl]methylideneamino]-N-(furan-2-ylmethyl)oxamide?
The InChIKey is DETZDXQIDVUSFY-BCHBDCPOSA-N. The full InChI is InChI=1S/C23H20Cl2N4O6/c1-33-19-10-14(11-27-29-23(32)22(31)26-12-17-3-2-8-34-17)9-18(25)21(19)35-13-20(30)28-16-6-4-15(24)5-7-16/h2-11H,12-13H2,1H3,(H,26,31)(H,28,30)(H,29,32)/b27-11-.
What are the key properties of N'-[(Z)-[3-chloro-4-[2-(4-chloroanilino)-2-oxoethoxy]-5-methoxyphenyl]methylideneamino]-N-(furan-2-ylmethyl)oxamide?
N'-[(Z)-[3-chloro-4-[2-(4-chloroanilino)-2-oxoethoxy]-5-methoxyphenyl]methylideneamino]-N-(furan-2-ylmethyl)oxamide has a molecular weight of 519.34 g/mol, XLogP of 3.38, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-[3-chloro-4-[2-(4-chloroanilino)-2-oxoethoxy]-5-methoxyphenyl]methylideneamino]-N-(furan-2-ylmethyl)oxamide is sourced from PubChem (CID 126265889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).