N'-[(Z)-[2-[2-(3-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-cyclopropyloxamide

C20H19ClN4O4 — CID 126268243

IUPACN'-[(Z)-[2-[2-(3-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-cyclopropyloxamide
SMILESO=C(COc1ccccc1/C=N\NC(=O)C(=O)NC1CC1)Nc1cccc(Cl)c1
InChIInChI=1S/C20H19ClN4O4/c21-14-5-3-6-16(10-14)23-18(26)12-29-17-7-2-1-4-13(17)11-22-25-20(28)19(27)24-15-8-9-15/h1-7,10-11,15H,8-9,12H2,(H,23,26)(H,24,27)(H,25,28)/b22-11-
InChIKeyCLYHPRYEMNGFNN-JJFYIABZSA-N
MW414.85 g/mol
LogP2.09
Rot. Bonds7

About N'-[(Z)-[2-[2-(3-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-cyclopropyloxamide

N'-[(Z)-[2-[2-(3-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-cyclopropyloxamide (PubChem CID 126268243) has the molecular formula C20H19ClN4O4 and a molecular weight of 414.85 g/mol. Its IUPAC name is N'-[(Z)-[2-[2-(3-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-cyclopropyloxamide.

Molecular Properties

Compound NameN'-[(Z)-[2-[2-(3-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-cyclopropyloxamide
PubChem CID126268243
Molecular FormulaC20H19ClN4O4
Molecular Weight414.85 g/mol
Exact Mass414.11
IUPAC NameN'-[(Z)-[2-[2-(3-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-cyclopropyloxamide
SMILESO=C(COc1ccccc1/C=N\NC(=O)C(=O)NC1CC1)Nc1cccc(Cl)c1
InChIInChI=1S/C20H19ClN4O4/c21-14-5-3-6-16(10-14)23-18(26)12-29-17-7-2-1-4-13(17)11-22-25-20(28)19(27)24-15-8-9-15/h1-7,10-11,15H,8-9,12H2,(H,23,26)(H,24,27)(H,25,28)/b22-11-
InChIKeyCLYHPRYEMNGFNN-JJFYIABZSA-N
XLogP2.09
TPSA108.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.85
LogP ≤ 52.09
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-cyclopropyl-N'-[(Z)-[2-[2-(3,5-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 126267749
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-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-(3-chlorophenyl)-N'-[(Z)-[2-[2-(2,4-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 126258874
N-cyclopropyl-N'-[(Z)-[2-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 126262178
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-methyloxamide
CID 126176224
N'-[(Z)-[2-[2-(3,5-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2,3-dichlorophenyl)oxamide
CID 126176882
N'-[(Z)-[2-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-N-(3-methylphenyl)oxamide
CID 126175885
N'-[(Z)-[2-[2-(2,4-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(3-methylphenyl)oxamide
CID 126173978

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-[2-[2-(3-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-cyclopropyloxamide?
The IUPAC name of N'-[(Z)-[2-[2-(3-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-cyclopropyloxamide (CID 126268243) is N'-[(Z)-[2-[2-(3-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-cyclopropyloxamide.
What is the SMILES notation for N'-[(Z)-[2-[2-(3-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-cyclopropyloxamide?
The canonical SMILES for N'-[(Z)-[2-[2-(3-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-cyclopropyloxamide is O=C(COc1ccccc1/C=N\NC(=O)C(=O)NC1CC1)Nc1cccc(Cl)c1.
What is the InChIKey of N'-[(Z)-[2-[2-(3-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-cyclopropyloxamide?
The InChIKey is CLYHPRYEMNGFNN-JJFYIABZSA-N. The full InChI is InChI=1S/C20H19ClN4O4/c21-14-5-3-6-16(10-14)23-18(26)12-29-17-7-2-1-4-13(17)11-22-25-20(28)19(27)24-15-8-9-15/h1-7,10-11,15H,8-9,12H2,(H,23,26)(H,24,27)(H,25,28)/b22-11-.
What are the key properties of N'-[(Z)-[2-[2-(3-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-cyclopropyloxamide?
N'-[(Z)-[2-[2-(3-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-cyclopropyloxamide has a molecular weight of 414.85 g/mol, XLogP of 2.09, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-[2-[2-(3-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-cyclopropyloxamide is sourced from PubChem (CID 126268243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).