N-[1-(2,4-dichlorophenyl)ethyl]-2-hydrazinyl-2-oxoacetamide

C10H11Cl2N3O2 — CID 43163867

IUPACN-[1-(2,4-dichlorophenyl)ethyl]-2-hydrazinyl-2-oxoacetamide
SMILESCC(NC(=O)C(=O)NN)c1ccc(Cl)cc1Cl
InChIInChI=1S/C10H11Cl2N3O2/c1-5(14-9(16)10(17)15-13)7-3-2-6(11)4-8(7)12/h2-5H,13H2,1H3,(H,14,16)(H,15,17)
InChIKeyNKSXXQLMDLEOAH-UHFFFAOYSA-N
MW276.12 g/mol
LogP1.16
Rot. Bonds2

About N-[1-(2,4-dichlorophenyl)ethyl]-2-hydrazinyl-2-oxoacetamide

N-[1-(2,4-dichlorophenyl)ethyl]-2-hydrazinyl-2-oxoacetamide (PubChem CID 43163867) has the molecular formula C10H11Cl2N3O2 and a molecular weight of 276.12 g/mol. Its IUPAC name is N-[1-(2,4-dichlorophenyl)ethyl]-2-hydrazinyl-2-oxoacetamide.

Molecular Properties

Compound NameN-[1-(2,4-dichlorophenyl)ethyl]-2-hydrazinyl-2-oxoacetamide
PubChem CID43163867
Molecular FormulaC10H11Cl2N3O2
Molecular Weight276.12 g/mol
Exact Mass275.02
IUPAC NameN-[1-(2,4-dichlorophenyl)ethyl]-2-hydrazinyl-2-oxoacetamide
SMILESCC(NC(=O)C(=O)NN)c1ccc(Cl)cc1Cl
InChIInChI=1S/C10H11Cl2N3O2/c1-5(14-9(16)10(17)15-13)7-3-2-6(11)4-8(7)12/h2-5H,13H2,1H3,(H,14,16)(H,15,17)
InChIKeyNKSXXQLMDLEOAH-UHFFFAOYSA-N
XLogP1.16
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.12
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[1-(2,4-dichlorophenyl)ethyl]propanamide
CID 43176389
(2S)-2-chloro-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]propanamide
CID 2118112
3-amino-N-[1-(2,4-dichlorophenyl)ethyl]-2-methylpropanamide
CID 62669599
1-amino-N-[1-(2,4-dichlorophenyl)ethyl]cyclopentane-1-carboxamide
CID 54924993
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-methylbutanamide
CID 51968542
2-acetamido-N-[1-(2,4-dichlorophenyl)ethyl]propanamide
CID 78772971
4-amino-N-[1-(2,4-dichlorophenyl)ethyl]benzamide
CID 43101350
4-amino-N-[1-(2,4-dichlorophenyl)ethyl]-2-methylbutanamide
CID 80542202
N-[1-(2,4-dichlorophenyl)ethyl]-2-ethylbutanamide
CID 75981550
3-amino-N-[1-(2,4-dichlorophenyl)ethyl]-2,2-dimethylpropanamide
CID 81489203
1-[1-(2,4-dichlorophenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 62096941
N-[1-(2,4-dichlorophenyl)ethyl]-2-propan-2-ylsulfonylpropanamide
CID 55965610

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dichlorophenyl)ethyl]-2-hydrazinyl-2-oxoacetamide?
The IUPAC name of N-[1-(2,4-dichlorophenyl)ethyl]-2-hydrazinyl-2-oxoacetamide (CID 43163867) is N-[1-(2,4-dichlorophenyl)ethyl]-2-hydrazinyl-2-oxoacetamide.
What is the SMILES notation for N-[1-(2,4-dichlorophenyl)ethyl]-2-hydrazinyl-2-oxoacetamide?
The canonical SMILES for N-[1-(2,4-dichlorophenyl)ethyl]-2-hydrazinyl-2-oxoacetamide is CC(NC(=O)C(=O)NN)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[1-(2,4-dichlorophenyl)ethyl]-2-hydrazinyl-2-oxoacetamide?
The InChIKey is NKSXXQLMDLEOAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2N3O2/c1-5(14-9(16)10(17)15-13)7-3-2-6(11)4-8(7)12/h2-5H,13H2,1H3,(H,14,16)(H,15,17).
What are the key properties of N-[1-(2,4-dichlorophenyl)ethyl]-2-hydrazinyl-2-oxoacetamide?
N-[1-(2,4-dichlorophenyl)ethyl]-2-hydrazinyl-2-oxoacetamide has a molecular weight of 276.12 g/mol, XLogP of 1.16, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dichlorophenyl)ethyl]-2-hydrazinyl-2-oxoacetamide is sourced from PubChem (CID 43163867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).