N-[2-[(2Z)-2-butan-2-ylidenehydrazinyl]-2-oxoethyl]-2,4-dichlorobenzamide

C13H15Cl2N3O2 — CID 6291935

IUPACN-[2-[(2Z)-2-butan-2-ylidenehydrazinyl]-2-oxoethyl]-2,4-dichlorobenzamide
SMILESCC/C(C)=N\NC(=O)CNC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H15Cl2N3O2/c1-3-8(2)17-18-12(19)7-16-13(20)10-5-4-9(14)6-11(10)15/h4-6H,3,7H2,1-2H3,(H,16,20)(H,18,19)/b17-8-
InChIKeyWSQZTYYGEKZULK-IUXPMGMMSA-N
MW316.19 g/mol
LogP2.63
Rot. Bonds5

About N-[2-[(2Z)-2-butan-2-ylidenehydrazinyl]-2-oxoethyl]-2,4-dichlorobenzamide

N-[2-[(2Z)-2-butan-2-ylidenehydrazinyl]-2-oxoethyl]-2,4-dichlorobenzamide (PubChem CID 6291935) has the molecular formula C13H15Cl2N3O2 and a molecular weight of 316.19 g/mol. Its IUPAC name is N-[2-[(2Z)-2-butan-2-ylidenehydrazinyl]-2-oxoethyl]-2,4-dichlorobenzamide.

Molecular Properties

Compound NameN-[2-[(2Z)-2-butan-2-ylidenehydrazinyl]-2-oxoethyl]-2,4-dichlorobenzamide
PubChem CID6291935
Molecular FormulaC13H15Cl2N3O2
Molecular Weight316.19 g/mol
Exact Mass315.05
IUPAC NameN-[2-[(2Z)-2-butan-2-ylidenehydrazinyl]-2-oxoethyl]-2,4-dichlorobenzamide
SMILESCC/C(C)=N\NC(=O)CNC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H15Cl2N3O2/c1-3-8(2)17-18-12(19)7-16-13(20)10-5-4-9(14)6-11(10)15/h4-6H,3,7H2,1-2H3,(H,16,20)(H,18,19)/b17-8-
InChIKeyWSQZTYYGEKZULK-IUXPMGMMSA-N
XLogP2.63
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.19
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of N-[2-[(2Z)-2-butan-2-ylidenehydrazinyl]-2-oxoethyl]-2,4-dichlorobenzamide?
The IUPAC name of N-[2-[(2Z)-2-butan-2-ylidenehydrazinyl]-2-oxoethyl]-2,4-dichlorobenzamide (CID 6291935) is N-[2-[(2Z)-2-butan-2-ylidenehydrazinyl]-2-oxoethyl]-2,4-dichlorobenzamide.
What is the SMILES notation for N-[2-[(2Z)-2-butan-2-ylidenehydrazinyl]-2-oxoethyl]-2,4-dichlorobenzamide?
The canonical SMILES for N-[2-[(2Z)-2-butan-2-ylidenehydrazinyl]-2-oxoethyl]-2,4-dichlorobenzamide is CC/C(C)=N\NC(=O)CNC(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[2-[(2Z)-2-butan-2-ylidenehydrazinyl]-2-oxoethyl]-2,4-dichlorobenzamide?
The InChIKey is WSQZTYYGEKZULK-IUXPMGMMSA-N. The full InChI is InChI=1S/C13H15Cl2N3O2/c1-3-8(2)17-18-12(19)7-16-13(20)10-5-4-9(14)6-11(10)15/h4-6H,3,7H2,1-2H3,(H,16,20)(H,18,19)/b17-8-.
What are the key properties of N-[2-[(2Z)-2-butan-2-ylidenehydrazinyl]-2-oxoethyl]-2,4-dichlorobenzamide?
N-[2-[(2Z)-2-butan-2-ylidenehydrazinyl]-2-oxoethyl]-2,4-dichlorobenzamide has a molecular weight of 316.19 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2Z)-2-butan-2-ylidenehydrazinyl]-2-oxoethyl]-2,4-dichlorobenzamide is sourced from PubChem (CID 6291935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).