N-[2-[2-(2,4-dichlorobenzoyl)hydrazinyl]-2-oxoethyl]-2,2-dimethylpropanamide

C14H17Cl2N3O3 — CID 36706576

IUPACN-[2-[2-(2,4-dichlorobenzoyl)hydrazinyl]-2-oxoethyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCC(=O)NNC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H17Cl2N3O3/c1-14(2,3)13(22)17-7-11(20)18-19-12(21)9-5-4-8(15)6-10(9)16/h4-6H,7H2,1-3H3,(H,17,22)(H,18,20)(H,19,21)
InChIKeyMFIPRNVEPCZKCF-UHFFFAOYSA-N
MW346.21 g/mol
LogP1.92
Rot. Bonds3

About N-[2-[2-(2,4-dichlorobenzoyl)hydrazinyl]-2-oxoethyl]-2,2-dimethylpropanamide

N-[2-[2-(2,4-dichlorobenzoyl)hydrazinyl]-2-oxoethyl]-2,2-dimethylpropanamide (PubChem CID 36706576) has the molecular formula C14H17Cl2N3O3 and a molecular weight of 346.21 g/mol. Its IUPAC name is N-[2-[2-(2,4-dichlorobenzoyl)hydrazinyl]-2-oxoethyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-[2-(2,4-dichlorobenzoyl)hydrazinyl]-2-oxoethyl]-2,2-dimethylpropanamide
PubChem CID36706576
Molecular FormulaC14H17Cl2N3O3
Molecular Weight346.21 g/mol
Exact Mass345.06
IUPAC NameN-[2-[2-(2,4-dichlorobenzoyl)hydrazinyl]-2-oxoethyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCC(=O)NNC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H17Cl2N3O3/c1-14(2,3)13(22)17-7-11(20)18-19-12(21)9-5-4-8(15)6-10(9)16/h4-6H,7H2,1-3H3,(H,17,22)(H,18,20)(H,19,21)
InChIKeyMFIPRNVEPCZKCF-UHFFFAOYSA-N
XLogP1.92
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.21
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2,4-dichlorobenzoyl)hydrazinyl]-2-oxoethyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-[2-(2,4-dichlorobenzoyl)hydrazinyl]-2-oxoethyl]-2,2-dimethylpropanamide (CID 36706576) is N-[2-[2-(2,4-dichlorobenzoyl)hydrazinyl]-2-oxoethyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-[2-(2,4-dichlorobenzoyl)hydrazinyl]-2-oxoethyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-[2-(2,4-dichlorobenzoyl)hydrazinyl]-2-oxoethyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NCC(=O)NNC(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[2-[2-(2,4-dichlorobenzoyl)hydrazinyl]-2-oxoethyl]-2,2-dimethylpropanamide?
The InChIKey is MFIPRNVEPCZKCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2N3O3/c1-14(2,3)13(22)17-7-11(20)18-19-12(21)9-5-4-8(15)6-10(9)16/h4-6H,7H2,1-3H3,(H,17,22)(H,18,20)(H,19,21).
What are the key properties of N-[2-[2-(2,4-dichlorobenzoyl)hydrazinyl]-2-oxoethyl]-2,2-dimethylpropanamide?
N-[2-[2-(2,4-dichlorobenzoyl)hydrazinyl]-2-oxoethyl]-2,2-dimethylpropanamide has a molecular weight of 346.21 g/mol, XLogP of 1.92, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2,4-dichlorobenzoyl)hydrazinyl]-2-oxoethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 36706576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).