N'-[(Z)-[4-[2-(3,5-dichloroanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-N-methyloxamide

C19H18Cl2N4O5 — CID 126160449

IUPACN'-[(Z)-[4-[2-(3,5-dichloroanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-N-methyloxamide
SMILESCNC(=O)C(=O)N/N=C\c1ccc(OCC(=O)Nc2cc(Cl)cc(Cl)c2)c(OC)c1
InChIInChI=1S/C19H18Cl2N4O5/c1-22-18(27)19(28)25-23-9-11-3-4-15(16(5-11)29-2)30-10-17(26)24-14-7-12(20)6-13(21)8-14/h3-9H,10H2,1-2H3,(H,22,27)(H,24,26)(H,25,28)/b23-9-
InChIKeyNYDCILPGOQHJNF-AQHIEDMUSA-N
MW453.28 g/mol
LogP2.22
Rot. Bonds7

About N'-[(Z)-[4-[2-(3,5-dichloroanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-N-methyloxamide

N'-[(Z)-[4-[2-(3,5-dichloroanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-N-methyloxamide (PubChem CID 126160449) has the molecular formula C19H18Cl2N4O5 and a molecular weight of 453.28 g/mol. Its IUPAC name is N'-[(Z)-[4-[2-(3,5-dichloroanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-N-methyloxamide.

Molecular Properties

Compound NameN'-[(Z)-[4-[2-(3,5-dichloroanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-N-methyloxamide
PubChem CID126160449
Molecular FormulaC19H18Cl2N4O5
Molecular Weight453.28 g/mol
Exact Mass452.07
IUPAC NameN'-[(Z)-[4-[2-(3,5-dichloroanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-N-methyloxamide
SMILESCNC(=O)C(=O)N/N=C\c1ccc(OCC(=O)Nc2cc(Cl)cc(Cl)c2)c(OC)c1
InChIInChI=1S/C19H18Cl2N4O5/c1-22-18(27)19(28)25-23-9-11-3-4-15(16(5-11)29-2)30-10-17(26)24-14-7-12(20)6-13(21)8-14/h3-9H,10H2,1-2H3,(H,22,27)(H,24,26)(H,25,28)/b23-9-
InChIKeyNYDCILPGOQHJNF-AQHIEDMUSA-N
XLogP2.22
TPSA118.12 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.28
LogP ≤ 52.22
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-(3,5-dichloroanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-N-propan-2-yloxamide
CID 126161313
N'-[(Z)-[3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-methoxyphenyl)oxamide
CID 126267664
N'-[(Z)-[4-[2-(3,5-dichloroanilino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]-N-ethyloxamide
CID 126161835
N'-[(Z)-[3-methoxy-4-[2-oxo-2-(2,4,6-trimethylanilino)ethoxy]phenyl]methylideneamino]-N-methyloxamide
CID 126159591
N'-[(Z)-[4-[2-(3-chloro-4-fluoroanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-N-(4-fluorophenyl)oxamide
CID 126275304
N'-[(Z)-[2-[2-(3,5-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-methyloxamide
CID 126176224
N'-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-N-(3,5-dichlorophenyl)oxamide
CID 3611008
N'-[[4-[2-(3,4-dichloroanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-N-ethyloxamide
CID 4032618
N'-[(Z)-[4-[2-(3,5-dichloroanilino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]-N-[(4-methoxyphenyl)methyl]oxamide
CID 126181971
N'-[(Z)-[4-[2-(4-chloroanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-N-(3-methoxypropyl)oxamide
CID 126157404
N'-[(Z)-[4-(2-anilino-2-oxoethoxy)-3-methoxyphenyl]methylideneamino]-N-(4-fluorophenyl)oxamide
CID 126269910
N'-[(Z)-[4-[2-(3,5-dimethylanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-N-(2-methoxyphenyl)oxamide
CID 126170578

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-[4-[2-(3,5-dichloroanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-N-methyloxamide?
The IUPAC name of N'-[(Z)-[4-[2-(3,5-dichloroanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-N-methyloxamide (CID 126160449) is N'-[(Z)-[4-[2-(3,5-dichloroanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-N-methyloxamide.
What is the SMILES notation for N'-[(Z)-[4-[2-(3,5-dichloroanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-N-methyloxamide?
The canonical SMILES for N'-[(Z)-[4-[2-(3,5-dichloroanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-N-methyloxamide is CNC(=O)C(=O)N/N=C\c1ccc(OCC(=O)Nc2cc(Cl)cc(Cl)c2)c(OC)c1.
What is the InChIKey of N'-[(Z)-[4-[2-(3,5-dichloroanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-N-methyloxamide?
The InChIKey is NYDCILPGOQHJNF-AQHIEDMUSA-N. The full InChI is InChI=1S/C19H18Cl2N4O5/c1-22-18(27)19(28)25-23-9-11-3-4-15(16(5-11)29-2)30-10-17(26)24-14-7-12(20)6-13(21)8-14/h3-9H,10H2,1-2H3,(H,22,27)(H,24,26)(H,25,28)/b23-9-.
What are the key properties of N'-[(Z)-[4-[2-(3,5-dichloroanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-N-methyloxamide?
N'-[(Z)-[4-[2-(3,5-dichloroanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-N-methyloxamide has a molecular weight of 453.28 g/mol, XLogP of 2.22, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-[4-[2-(3,5-dichloroanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-N-methyloxamide is sourced from PubChem (CID 126160449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).