N'-[(Z)-(2,3-dichlorophenyl)methylideneamino]-N-propan-2-yloxamide

C12H13Cl2N3O2 — CID 9351462

IUPACN'-[(Z)-(2,3-dichlorophenyl)methylideneamino]-N-propan-2-yloxamide
SMILESCC(C)NC(=O)C(=O)N/N=C\c1cccc(Cl)c1Cl
InChIInChI=1S/C12H13Cl2N3O2/c1-7(2)16-11(18)12(19)17-15-6-8-4-3-5-9(13)10(8)14/h3-7H,1-2H3,(H,16,18)(H,17,19)/b15-6-
InChIKeyVDOJIILHLIZBFU-UUASQNMZSA-N
MW302.16 g/mol
LogP1.97
Rot. Bonds3

About N'-[(Z)-(2,3-dichlorophenyl)methylideneamino]-N-propan-2-yloxamide

N'-[(Z)-(2,3-dichlorophenyl)methylideneamino]-N-propan-2-yloxamide (PubChem CID 9351462) has the molecular formula C12H13Cl2N3O2 and a molecular weight of 302.16 g/mol. Its IUPAC name is N'-[(Z)-(2,3-dichlorophenyl)methylideneamino]-N-propan-2-yloxamide.

Molecular Properties

Compound NameN'-[(Z)-(2,3-dichlorophenyl)methylideneamino]-N-propan-2-yloxamide
PubChem CID9351462
Molecular FormulaC12H13Cl2N3O2
Molecular Weight302.16 g/mol
Exact Mass301.04
IUPAC NameN'-[(Z)-(2,3-dichlorophenyl)methylideneamino]-N-propan-2-yloxamide
SMILESCC(C)NC(=O)C(=O)N/N=C\c1cccc(Cl)c1Cl
InChIInChI=1S/C12H13Cl2N3O2/c1-7(2)16-11(18)12(19)17-15-6-8-4-3-5-9(13)10(8)14/h3-7H,1-2H3,(H,16,18)(H,17,19)/b15-6-
InChIKeyVDOJIILHLIZBFU-UUASQNMZSA-N
XLogP1.97
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.16
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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)-(2,3-dichlorophenyl)methylideneamino]acetamide
CID 6294643
N-[(E)-(2,3-dichlorophenyl)methylideneamino]propanamide
CID 154646210
N-[(2,3-dichlorophenyl)methylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide
CID 2263908
N-(3,4-dichlorophenyl)-N'-[(Z)-(2,3-dichlorophenyl)methylideneamino]oxamide
CID 6243667
N-[(E)-(2,3-dichlorophenyl)methylideneamino]-4-propan-2-ylbenzamide
CID 6874265
N-(4-carbamoylphenyl)-N'-[(E)-(2,3-dichlorophenyl)methylideneamino]oxamide
CID 19661193
N-(2,5-dichlorophenyl)-N'-[(2,3-dichlorophenyl)methylideneamino]oxamide
CID 3336586
N-(5-chloro-2-methylphenyl)-N'-[(Z)-(2,3-dichlorophenyl)methylideneamino]oxamide
CID 6264911
(2S)-N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-2-[(2,2-diphenylacetyl)amino]-3-methylbutanamide
CID 27877587
N-[(E)-(2,3-dichlorophenyl)methylideneamino]-4-methylbenzamide
CID 5333191
N'-[(Z)-(2,3-dichlorophenyl)methylideneamino]-N-(pyridin-4-ylmethyl)oxamide
CID 94847411
N-[(E)-(2,3-dichlorophenyl)methylideneamino]-2-[2-[(2E)-2-[(2,3-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]sulfanylacetamide
CID 171981130

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-(2,3-dichlorophenyl)methylideneamino]-N-propan-2-yloxamide?
The IUPAC name of N'-[(Z)-(2,3-dichlorophenyl)methylideneamino]-N-propan-2-yloxamide (CID 9351462) is N'-[(Z)-(2,3-dichlorophenyl)methylideneamino]-N-propan-2-yloxamide.
What is the SMILES notation for N'-[(Z)-(2,3-dichlorophenyl)methylideneamino]-N-propan-2-yloxamide?
The canonical SMILES for N'-[(Z)-(2,3-dichlorophenyl)methylideneamino]-N-propan-2-yloxamide is CC(C)NC(=O)C(=O)N/N=C\c1cccc(Cl)c1Cl.
What is the InChIKey of N'-[(Z)-(2,3-dichlorophenyl)methylideneamino]-N-propan-2-yloxamide?
The InChIKey is VDOJIILHLIZBFU-UUASQNMZSA-N. The full InChI is InChI=1S/C12H13Cl2N3O2/c1-7(2)16-11(18)12(19)17-15-6-8-4-3-5-9(13)10(8)14/h3-7H,1-2H3,(H,16,18)(H,17,19)/b15-6-.
What are the key properties of N'-[(Z)-(2,3-dichlorophenyl)methylideneamino]-N-propan-2-yloxamide?
N'-[(Z)-(2,3-dichlorophenyl)methylideneamino]-N-propan-2-yloxamide has a molecular weight of 302.16 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-(2,3-dichlorophenyl)methylideneamino]-N-propan-2-yloxamide is sourced from PubChem (CID 9351462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).