2-[(Z)-[2-(3,4-dichloroanilino)-2-oxoethylidene]amino]oxy-N-[(2R)-3-methylbutan-2-yl]acetamide

C15H19Cl2N3O3 — CID 8933578

IUPAC2-[(Z)-[2-(3,4-dichloroanilino)-2-oxoethylidene]amino]oxy-N-[(2R)-3-methylbutan-2-yl]acetamide
SMILESCC(C)[C@@H](C)NC(=O)CO/N=C\C(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H19Cl2N3O3/c1-9(2)10(3)19-15(22)8-23-18-7-14(21)20-11-4-5-12(16)13(17)6-11/h4-7,9-10H,8H2,1-3H3,(H,19,22)(H,20,21)/b18-7-/t10-/m1/s1
InChIKeyUPTBHNVZVYIFTN-WZHXZVPRSA-N
MW360.24 g/mol
LogP3.10
Rot. Bonds7

About 2-[(Z)-[2-(3,4-dichloroanilino)-2-oxoethylidene]amino]oxy-N-[(2R)-3-methylbutan-2-yl]acetamide

2-[(Z)-[2-(3,4-dichloroanilino)-2-oxoethylidene]amino]oxy-N-[(2R)-3-methylbutan-2-yl]acetamide (PubChem CID 8933578) has the molecular formula C15H19Cl2N3O3 and a molecular weight of 360.24 g/mol. Its IUPAC name is 2-[(Z)-[2-(3,4-dichloroanilino)-2-oxoethylidene]amino]oxy-N-[(2R)-3-methylbutan-2-yl]acetamide.

Molecular Properties

Compound Name2-[(Z)-[2-(3,4-dichloroanilino)-2-oxoethylidene]amino]oxy-N-[(2R)-3-methylbutan-2-yl]acetamide
PubChem CID8933578
Molecular FormulaC15H19Cl2N3O3
Molecular Weight360.24 g/mol
Exact Mass359.08
IUPAC Name2-[(Z)-[2-(3,4-dichloroanilino)-2-oxoethylidene]amino]oxy-N-[(2R)-3-methylbutan-2-yl]acetamide
SMILESCC(C)[C@@H](C)NC(=O)CO/N=C\C(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H19Cl2N3O3/c1-9(2)10(3)19-15(22)8-23-18-7-14(21)20-11-4-5-12(16)13(17)6-11/h4-7,9-10H,8H2,1-3H3,(H,19,22)(H,20,21)/b18-7-/t10-/m1/s1
InChIKeyUPTBHNVZVYIFTN-WZHXZVPRSA-N
XLogP3.10
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.24
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3,4-dichlorophenyl)-2-[methyl-[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl]amino]acetamide
CID 8709970
N-(3,4-dichlorophenyl)-2-[2-(1H-indol-3-yl)-2-oxoethoxy]iminoacetamide
CID 78630599
propan-2-yl 3-(3,4-dichloroanilino)-3-oxopropanoate
CID 131843684
N-(3,4-dichlorophenyl)-2-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]oxyacetamide
CID 9355357
3-(3,4-dichlorophenyl)-N-[(2R)-3-methylbutan-2-yl]propanamide
CID 100573076
(2E)-2-(diaminomethylidenehydrazinylidene)-N-(3,4-dichlorophenyl)acetamide
CID 45480706
N-(3-chloro-4-methylphenyl)-2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetamide
CID 7705226
4-amino-N-(3,4-dichlorophenyl)butanamide;hydrochloride
CID 119262031
N'-(3,4-dichlorophenyl)-N-(4-propan-2-ylphenyl)propanediamide
CID 108954400
2-[(Z)-[2-(2,4-dimethylanilino)-2-oxoethylidene]amino]oxy-N-(4-propan-2-ylphenyl)acetamide
CID 7665428
N-(4-chloro-2-methylphenyl)-2-[(Z)-[2-(2,4-dimethylanilino)-2-oxoethylidene]amino]oxyacetamide
CID 7665896
2-chloro-4-[[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl]amino]benzamide
CID 33007137

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-[2-(3,4-dichloroanilino)-2-oxoethylidene]amino]oxy-N-[(2R)-3-methylbutan-2-yl]acetamide?
The IUPAC name of 2-[(Z)-[2-(3,4-dichloroanilino)-2-oxoethylidene]amino]oxy-N-[(2R)-3-methylbutan-2-yl]acetamide (CID 8933578) is 2-[(Z)-[2-(3,4-dichloroanilino)-2-oxoethylidene]amino]oxy-N-[(2R)-3-methylbutan-2-yl]acetamide.
What is the SMILES notation for 2-[(Z)-[2-(3,4-dichloroanilino)-2-oxoethylidene]amino]oxy-N-[(2R)-3-methylbutan-2-yl]acetamide?
The canonical SMILES for 2-[(Z)-[2-(3,4-dichloroanilino)-2-oxoethylidene]amino]oxy-N-[(2R)-3-methylbutan-2-yl]acetamide is CC(C)[C@@H](C)NC(=O)CO/N=C\C(=O)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-[(Z)-[2-(3,4-dichloroanilino)-2-oxoethylidene]amino]oxy-N-[(2R)-3-methylbutan-2-yl]acetamide?
The InChIKey is UPTBHNVZVYIFTN-WZHXZVPRSA-N. The full InChI is InChI=1S/C15H19Cl2N3O3/c1-9(2)10(3)19-15(22)8-23-18-7-14(21)20-11-4-5-12(16)13(17)6-11/h4-7,9-10H,8H2,1-3H3,(H,19,22)(H,20,21)/b18-7-/t10-/m1/s1.
What are the key properties of 2-[(Z)-[2-(3,4-dichloroanilino)-2-oxoethylidene]amino]oxy-N-[(2R)-3-methylbutan-2-yl]acetamide?
2-[(Z)-[2-(3,4-dichloroanilino)-2-oxoethylidene]amino]oxy-N-[(2R)-3-methylbutan-2-yl]acetamide has a molecular weight of 360.24 g/mol, XLogP of 3.10, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-[2-(3,4-dichloroanilino)-2-oxoethylidene]amino]oxy-N-[(2R)-3-methylbutan-2-yl]acetamide is sourced from PubChem (CID 8933578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).