N'-(3-chloro-5-fluorophenyl)-3,3-dimethylbutanehydrazide

C12H16ClFN2O — CID 67066743

IUPACN'-(3-chloro-5-fluorophenyl)-3,3-dimethylbutanehydrazide
SMILESCC(C)(C)CC(=O)NNc1cc(F)cc(Cl)c1
InChIInChI=1S/C12H16ClFN2O/c1-12(2,3)7-11(17)16-15-10-5-8(13)4-9(14)6-10/h4-6,15H,7H2,1-3H3,(H,16,17)
InChIKeyKDYNIOBYBIYHMN-UHFFFAOYSA-N
MW258.72 g/mol
LogP3.36
Rot. Bonds3

About N'-(3-chloro-5-fluorophenyl)-3,3-dimethylbutanehydrazide

N'-(3-chloro-5-fluorophenyl)-3,3-dimethylbutanehydrazide (PubChem CID 67066743) has the molecular formula C12H16ClFN2O and a molecular weight of 258.72 g/mol. Its IUPAC name is N'-(3-chloro-5-fluorophenyl)-3,3-dimethylbutanehydrazide.

Molecular Properties

Compound NameN'-(3-chloro-5-fluorophenyl)-3,3-dimethylbutanehydrazide
PubChem CID67066743
Molecular FormulaC12H16ClFN2O
Molecular Weight258.72 g/mol
Exact Mass258.09
IUPAC NameN'-(3-chloro-5-fluorophenyl)-3,3-dimethylbutanehydrazide
SMILESCC(C)(C)CC(=O)NNc1cc(F)cc(Cl)c1
InChIInChI=1S/C12H16ClFN2O/c1-12(2,3)7-11(17)16-15-10-5-8(13)4-9(14)6-10/h4-6,15H,7H2,1-3H3,(H,16,17)
InChIKeyKDYNIOBYBIYHMN-UHFFFAOYSA-N
XLogP3.36
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.72
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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'-(3-chloro-5-fluorophenyl)-3,3-dimethylbutanehydrazide?
The IUPAC name of N'-(3-chloro-5-fluorophenyl)-3,3-dimethylbutanehydrazide (CID 67066743) is N'-(3-chloro-5-fluorophenyl)-3,3-dimethylbutanehydrazide.
What is the SMILES notation for N'-(3-chloro-5-fluorophenyl)-3,3-dimethylbutanehydrazide?
The canonical SMILES for N'-(3-chloro-5-fluorophenyl)-3,3-dimethylbutanehydrazide is CC(C)(C)CC(=O)NNc1cc(F)cc(Cl)c1.
What is the InChIKey of N'-(3-chloro-5-fluorophenyl)-3,3-dimethylbutanehydrazide?
The InChIKey is KDYNIOBYBIYHMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClFN2O/c1-12(2,3)7-11(17)16-15-10-5-8(13)4-9(14)6-10/h4-6,15H,7H2,1-3H3,(H,16,17).
What are the key properties of N'-(3-chloro-5-fluorophenyl)-3,3-dimethylbutanehydrazide?
N'-(3-chloro-5-fluorophenyl)-3,3-dimethylbutanehydrazide has a molecular weight of 258.72 g/mol, XLogP of 3.36, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chloro-5-fluorophenyl)-3,3-dimethylbutanehydrazide is sourced from PubChem (CID 67066743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).