N-(2-chlorophenyl)-4-hydrazinyl-4-oxobutanamide

C10H12ClN3O2 — CID 2063982

IUPACN-(2-chlorophenyl)-4-hydrazinyl-4-oxobutanamide
SMILESNNC(=O)CCC(=O)Nc1ccccc1Cl
InChIInChI=1S/C10H12ClN3O2/c11-7-3-1-2-4-8(7)13-9(15)5-6-10(16)14-12/h1-4H,5-6,12H2,(H,13,15)(H,14,16)
InChIKeyPMGKUXDEHKVRND-UHFFFAOYSA-N
MW241.68 g/mol
LogP1.05
Rot. Bonds4

About N-(2-chlorophenyl)-4-hydrazinyl-4-oxobutanamide

N-(2-chlorophenyl)-4-hydrazinyl-4-oxobutanamide (PubChem CID 2063982) has the molecular formula C10H12ClN3O2 and a molecular weight of 241.68 g/mol. Its IUPAC name is N-(2-chlorophenyl)-4-hydrazinyl-4-oxobutanamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-4-hydrazinyl-4-oxobutanamide
PubChem CID2063982
Molecular FormulaC10H12ClN3O2
Molecular Weight241.68 g/mol
Exact Mass241.06
IUPAC NameN-(2-chlorophenyl)-4-hydrazinyl-4-oxobutanamide
SMILESNNC(=O)CCC(=O)Nc1ccccc1Cl
InChIInChI=1S/C10H12ClN3O2/c11-7-3-1-2-4-8(7)13-9(15)5-6-10(16)14-12/h1-4H,5-6,12H2,(H,13,15)(H,14,16)
InChIKeyPMGKUXDEHKVRND-UHFFFAOYSA-N
XLogP1.05
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.68
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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-chlorophenyl)-4-hydrazinyl-4-oxobutanamide?
The IUPAC name of N-(2-chlorophenyl)-4-hydrazinyl-4-oxobutanamide (CID 2063982) is N-(2-chlorophenyl)-4-hydrazinyl-4-oxobutanamide.
What is the SMILES notation for N-(2-chlorophenyl)-4-hydrazinyl-4-oxobutanamide?
The canonical SMILES for N-(2-chlorophenyl)-4-hydrazinyl-4-oxobutanamide is NNC(=O)CCC(=O)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-4-hydrazinyl-4-oxobutanamide?
The InChIKey is PMGKUXDEHKVRND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O2/c11-7-3-1-2-4-8(7)13-9(15)5-6-10(16)14-12/h1-4H,5-6,12H2,(H,13,15)(H,14,16).
What are the key properties of N-(2-chlorophenyl)-4-hydrazinyl-4-oxobutanamide?
N-(2-chlorophenyl)-4-hydrazinyl-4-oxobutanamide has a molecular weight of 241.68 g/mol, XLogP of 1.05, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-4-hydrazinyl-4-oxobutanamide is sourced from PubChem (CID 2063982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).