2-(2-chloro-5-fluoro-4-methylphenyl)-2-methylpropanehydrazide

C11H14ClFN2O — CID 116844099

IUPAC2-(2-chloro-5-fluoro-4-methylphenyl)-2-methylpropanehydrazide
SMILESCc1cc(Cl)c(C(C)(C)C(=O)NN)cc1F
InChIInChI=1S/C11H14ClFN2O/c1-6-4-8(12)7(5-9(6)13)11(2,3)10(16)15-14/h4-5H,14H2,1-3H3,(H,15,16)
InChIKeySNMYAPJVXVGSDK-UHFFFAOYSA-N
MW244.70 g/mol
LogP2.06
Rot. Bonds2

About 2-(2-chloro-5-fluoro-4-methylphenyl)-2-methylpropanehydrazide

2-(2-chloro-5-fluoro-4-methylphenyl)-2-methylpropanehydrazide (PubChem CID 116844099) has the molecular formula C11H14ClFN2O and a molecular weight of 244.70 g/mol. Its IUPAC name is 2-(2-chloro-5-fluoro-4-methylphenyl)-2-methylpropanehydrazide.

Molecular Properties

Compound Name2-(2-chloro-5-fluoro-4-methylphenyl)-2-methylpropanehydrazide
PubChem CID116844099
Molecular FormulaC11H14ClFN2O
Molecular Weight244.70 g/mol
Exact Mass244.08
IUPAC Name2-(2-chloro-5-fluoro-4-methylphenyl)-2-methylpropanehydrazide
SMILESCc1cc(Cl)c(C(C)(C)C(=O)NN)cc1F
InChIInChI=1S/C11H14ClFN2O/c1-6-4-8(12)7(5-9(6)13)11(2,3)10(16)15-14/h4-5H,14H2,1-3H3,(H,15,16)
InChIKeySNMYAPJVXVGSDK-UHFFFAOYSA-N
XLogP2.06
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.70
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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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Related Compounds

2-(5-chloro-2-fluorophenyl)-2-methylpropanehydrazide
CID 116844040
2-(4-fluoro-3-methylphenyl)-2-methylpropanehydrazide
CID 116843969
1-chloro-2-(1,1-difluoroethyl)-4-fluoro-5-methylbenzene
CID 116841620
2-(2-chloro-5-fluoro-4-methylphenyl)-N-methylpropan-2-amine
CID 116963016
1-(2-chloro-5-fluoro-4-methylphenyl)-1,1-difluoro-2-methylpropan-2-amine
CID 116839484
N-(2-chloro-5-fluoro-4-methylphenyl)-2-hydroxy-2-methylpropanamide
CID 115178606
2-(2-chloro-5-fluoro-4-methylphenyl)-2,2-difluoroethanamine
CID 116838633
4-amino-1-(2-chloro-5-fluoro-4-methylphenyl)-2,2-dimethylbutan-1-one
CID 116916425
2-chloro-5-fluoro-4-methylbenzenesulfonohydrazide
CID 171366796
1-(2-chloro-5-fluoro-4-methylphenyl)-2-hydroxy-2-methylpropan-1-one
CID 116920451
3-amino-1-[(2-chloro-5-fluoro-4-methylphenyl)methyl]-1-methylurea
CID 115192854
N-[(2-chloro-5-fluoro-4-methylphenyl)methyl]-2,2,2-trifluoroacetamide
CID 115190282

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-fluoro-4-methylphenyl)-2-methylpropanehydrazide?
The IUPAC name of 2-(2-chloro-5-fluoro-4-methylphenyl)-2-methylpropanehydrazide (CID 116844099) is 2-(2-chloro-5-fluoro-4-methylphenyl)-2-methylpropanehydrazide.
What is the SMILES notation for 2-(2-chloro-5-fluoro-4-methylphenyl)-2-methylpropanehydrazide?
The canonical SMILES for 2-(2-chloro-5-fluoro-4-methylphenyl)-2-methylpropanehydrazide is Cc1cc(Cl)c(C(C)(C)C(=O)NN)cc1F.
What is the InChIKey of 2-(2-chloro-5-fluoro-4-methylphenyl)-2-methylpropanehydrazide?
The InChIKey is SNMYAPJVXVGSDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFN2O/c1-6-4-8(12)7(5-9(6)13)11(2,3)10(16)15-14/h4-5H,14H2,1-3H3,(H,15,16).
What are the key properties of 2-(2-chloro-5-fluoro-4-methylphenyl)-2-methylpropanehydrazide?
2-(2-chloro-5-fluoro-4-methylphenyl)-2-methylpropanehydrazide has a molecular weight of 244.70 g/mol, XLogP of 2.06, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-fluoro-4-methylphenyl)-2-methylpropanehydrazide is sourced from PubChem (CID 116844099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).