N-cyclopropyl-N'-[(Z)-[2-[2-(3,5-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide

C20H18Cl2N4O4 — CID 126267749

IUPACN-cyclopropyl-N'-[(Z)-[2-[2-(3,5-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
SMILESO=C(COc1ccccc1/C=N\NC(=O)C(=O)NC1CC1)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C20H18Cl2N4O4/c21-13-7-14(22)9-16(8-13)24-18(27)11-30-17-4-2-1-3-12(17)10-23-26-20(29)19(28)25-15-5-6-15/h1-4,7-10,15H,5-6,11H2,(H,24,27)(H,25,28)(H,26,29)/b23-10-
InChIKeyDUDUUOJQOZJKMK-RMORIDSASA-N
MW449.29 g/mol
LogP2.74
Rot. Bonds7

About N-cyclopropyl-N'-[(Z)-[2-[2-(3,5-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide

N-cyclopropyl-N'-[(Z)-[2-[2-(3,5-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide (PubChem CID 126267749) has the molecular formula C20H18Cl2N4O4 and a molecular weight of 449.29 g/mol. Its IUPAC name is N-cyclopropyl-N'-[(Z)-[2-[2-(3,5-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide.

Molecular Properties

Compound NameN-cyclopropyl-N'-[(Z)-[2-[2-(3,5-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
PubChem CID126267749
Molecular FormulaC20H18Cl2N4O4
Molecular Weight449.29 g/mol
Exact Mass448.07
IUPAC NameN-cyclopropyl-N'-[(Z)-[2-[2-(3,5-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
SMILESO=C(COc1ccccc1/C=N\NC(=O)C(=O)NC1CC1)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C20H18Cl2N4O4/c21-13-7-14(22)9-16(8-13)24-18(27)11-30-17-4-2-1-3-12(17)10-23-26-20(29)19(28)25-15-5-6-15/h1-4,7-10,15H,5-6,11H2,(H,24,27)(H,25,28)(H,26,29)/b23-10-
InChIKeyDUDUUOJQOZJKMK-RMORIDSASA-N
XLogP2.74
TPSA108.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.29
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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)-[2-[2-(3-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-cyclopropyloxamide
CID 126268243
N-cyclopropyl-N'-[(Z)-[2-[2-(3,4-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 126269745
N-cyclopropyl-N'-[(Z)-[2-[2-(3,5-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 126264726
N'-[(Z)-[2-[2-(3,5-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-methyloxamide
CID 126176224
N-cyclopropyl-N'-[(Z)-[2-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 126262178
N'-[(Z)-[2-[2-(3,5-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2,3-dichlorophenyl)oxamide
CID 126176882
N'-[(Z)-[5-bromo-2-[2-(4-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-cyclopropyloxamide
CID 126273086
N'-[(Z)-[2-[2-(3,5-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-[(4-propan-2-ylphenyl)methyl]oxamide
CID 126172407
N'-[(Z)-[2-[2-(3-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-ethylphenyl)oxamide
CID 126173463
N'-[(Z)-[2-[2-(3-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-methylphenyl)oxamide
CID 126159885
N-cyclopentyl-N'-[(Z)-(2-ethoxyphenyl)methylideneamino]oxamide
CID 94846855
N-(3-chlorophenyl)-N'-[(Z)-[2-[2-(2,4-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 126258874

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N'-[(Z)-[2-[2-(3,5-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide?
The IUPAC name of N-cyclopropyl-N'-[(Z)-[2-[2-(3,5-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide (CID 126267749) is N-cyclopropyl-N'-[(Z)-[2-[2-(3,5-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide.
What is the SMILES notation for N-cyclopropyl-N'-[(Z)-[2-[2-(3,5-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide?
The canonical SMILES for N-cyclopropyl-N'-[(Z)-[2-[2-(3,5-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide is O=C(COc1ccccc1/C=N\NC(=O)C(=O)NC1CC1)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-cyclopropyl-N'-[(Z)-[2-[2-(3,5-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide?
The InChIKey is DUDUUOJQOZJKMK-RMORIDSASA-N. The full InChI is InChI=1S/C20H18Cl2N4O4/c21-13-7-14(22)9-16(8-13)24-18(27)11-30-17-4-2-1-3-12(17)10-23-26-20(29)19(28)25-15-5-6-15/h1-4,7-10,15H,5-6,11H2,(H,24,27)(H,25,28)(H,26,29)/b23-10-.
What are the key properties of N-cyclopropyl-N'-[(Z)-[2-[2-(3,5-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide?
N-cyclopropyl-N'-[(Z)-[2-[2-(3,5-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide has a molecular weight of 449.29 g/mol, XLogP of 2.74, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N'-[(Z)-[2-[2-(3,5-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide is sourced from PubChem (CID 126267749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).