N'-[[4-[2-(3,4-dichloroanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-N-ethyloxamide

C20H20Cl2N4O5 — CID 4032618

IUPACN'-[[4-[2-(3,4-dichloroanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-N-ethyloxamide
SMILESCCNC(=O)C(=O)NN=Cc1ccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c(OC)c1
InChIInChI=1S/C20H20Cl2N4O5/c1-3-23-19(28)20(29)26-24-10-12-4-7-16(17(8-12)30-2)31-11-18(27)25-13-5-6-14(21)15(22)9-13/h4-10H,3,11H2,1-2H3,(H,23,28)(H,25,27)(H,26,29)
InChIKeyCJDHWMPBXLNPAK-UHFFFAOYSA-N
MW467.31 g/mol
LogP2.61
Rot. Bonds8

About N'-[[4-[2-(3,4-dichloroanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-N-ethyloxamide

N'-[[4-[2-(3,4-dichloroanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-N-ethyloxamide (PubChem CID 4032618) has the molecular formula C20H20Cl2N4O5 and a molecular weight of 467.31 g/mol. Its IUPAC name is N'-[[4-[2-(3,4-dichloroanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-N-ethyloxamide.

Molecular Properties

Compound NameN'-[[4-[2-(3,4-dichloroanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-N-ethyloxamide
PubChem CID4032618
Molecular FormulaC20H20Cl2N4O5
Molecular Weight467.31 g/mol
Exact Mass466.08
IUPAC NameN'-[[4-[2-(3,4-dichloroanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-N-ethyloxamide
SMILESCCNC(=O)C(=O)NN=Cc1ccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c(OC)c1
InChIInChI=1S/C20H20Cl2N4O5/c1-3-23-19(28)20(29)26-24-10-12-4-7-16(17(8-12)30-2)31-11-18(27)25-13-5-6-14(21)15(22)9-13/h4-10H,3,11H2,1-2H3,(H,23,28)(H,25,27)(H,26,29)
InChIKeyCJDHWMPBXLNPAK-UHFFFAOYSA-N
XLogP2.61
TPSA118.12 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.31
LogP ≤ 52.61
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'-[(Z)-[4-[2-(2,3-dichloroanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-N-ethyloxamide
CID 126160483
N'-[(Z)-[4-[2-(3,4-dichloroanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-N-(2,3-dichlorophenyl)oxamide
CID 126172100
N'-[(E)-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylideneamino]-N-(3,4-dichlorophenyl)oxamide
CID 19658472
N'-[(Z)-[4-[2-(3,4-dichloroanilino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]-N-prop-2-enyloxamide
CID 126166268
N-(1,3-benzodioxol-5-ylmethyl)-N'-[(Z)-[4-[2-(3,4-dichloroanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]oxamide
CID 126169650
N'-[(Z)-[4-[2-(3,5-dichloroanilino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]-N-ethyloxamide
CID 126161835
N'-[(Z)-[4-[2-(3,4-dichloroanilino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]-N-propan-2-yloxamide
CID 126162291
N'-[(Z)-[4-[2-(3-chloro-4-fluoroanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-N-(4-fluorophenyl)oxamide
CID 126275304
N-(3,4-dichlorophenyl)-N'-[(Z)-(3-methoxy-4-propoxyphenyl)methylideneamino]propanediamide
CID 6297265
N'-[(Z)-[4-(2-anilino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]methylideneamino]-N-ethyloxamide
CID 126170325
N'-[(Z)-[4-[2-(3-chloro-4-fluoroanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-N-[(4-methylphenyl)methyl]oxamide
CID 126270578
N'-[(Z)-[4-[2-(3,5-dichloroanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-N-methyloxamide
CID 126160449

Frequently Asked Questions

What is the IUPAC name of N'-[[4-[2-(3,4-dichloroanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-N-ethyloxamide?
The IUPAC name of N'-[[4-[2-(3,4-dichloroanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-N-ethyloxamide (CID 4032618) is N'-[[4-[2-(3,4-dichloroanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-N-ethyloxamide.
What is the SMILES notation for N'-[[4-[2-(3,4-dichloroanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-N-ethyloxamide?
The canonical SMILES for N'-[[4-[2-(3,4-dichloroanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-N-ethyloxamide is CCNC(=O)C(=O)NN=Cc1ccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c(OC)c1.
What is the InChIKey of N'-[[4-[2-(3,4-dichloroanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-N-ethyloxamide?
The InChIKey is CJDHWMPBXLNPAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2N4O5/c1-3-23-19(28)20(29)26-24-10-12-4-7-16(17(8-12)30-2)31-11-18(27)25-13-5-6-14(21)15(22)9-13/h4-10H,3,11H2,1-2H3,(H,23,28)(H,25,27)(H,26,29).
What are the key properties of N'-[[4-[2-(3,4-dichloroanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-N-ethyloxamide?
N'-[[4-[2-(3,4-dichloroanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-N-ethyloxamide has a molecular weight of 467.31 g/mol, XLogP of 2.61, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[4-[2-(3,4-dichloroanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-N-ethyloxamide is sourced from PubChem (CID 4032618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).