2-bromo-N'-tert-butyl-N-[2,6-dimethyl-4-(trifluoromethyl)phenyl]acetohydrazide

C15H20BrF3N2O — CID 175940649

IUPAC2-bromo-N'-tert-butyl-N-[2,6-dimethyl-4-(trifluoromethyl)phenyl]acetohydrazide
SMILESCc1cc(C(F)(F)F)cc(C)c1N(NC(C)(C)C)C(=O)CBr
InChIInChI=1S/C15H20BrF3N2O/c1-9-6-11(15(17,18)19)7-10(2)13(9)21(12(22)8-16)20-14(3,4)5/h6-7,20H,8H2,1-5H3
InChIKeyPPJBFXWLGIZICI-UHFFFAOYSA-N
MW381.24 g/mol
LogP4.35
Rot. Bonds3

About 2-bromo-N'-tert-butyl-N-[2,6-dimethyl-4-(trifluoromethyl)phenyl]acetohydrazide

2-bromo-N'-tert-butyl-N-[2,6-dimethyl-4-(trifluoromethyl)phenyl]acetohydrazide (PubChem CID 175940649) has the molecular formula C15H20BrF3N2O and a molecular weight of 381.24 g/mol. Its IUPAC name is 2-bromo-N'-tert-butyl-N-[2,6-dimethyl-4-(trifluoromethyl)phenyl]acetohydrazide.

Molecular Properties

Compound Name2-bromo-N'-tert-butyl-N-[2,6-dimethyl-4-(trifluoromethyl)phenyl]acetohydrazide
PubChem CID175940649
Molecular FormulaC15H20BrF3N2O
Molecular Weight381.24 g/mol
Exact Mass380.07
IUPAC Name2-bromo-N'-tert-butyl-N-[2,6-dimethyl-4-(trifluoromethyl)phenyl]acetohydrazide
SMILESCc1cc(C(F)(F)F)cc(C)c1N(NC(C)(C)C)C(=O)CBr
InChIInChI=1S/C15H20BrF3N2O/c1-9-6-11(15(17,18)19)7-10(2)13(9)21(12(22)8-16)20-14(3,4)5/h6-7,20H,8H2,1-5H3
InChIKeyPPJBFXWLGIZICI-UHFFFAOYSA-N
XLogP4.35
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.24
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2,2-trifluoro-N-(2,4,6-trimethylphenyl)acetamide
CID 4085458
n-[2,4-Bis(trifluoromethyl)phenyl]-2-bromoacetamide
CID 22708279
2-Bromo-N-[4-isopropyl-2-(trifluoromethyl)phenyl]acetamide
CID 22708283
2-bromo-N-[4-methyl-2-(trifluoromethyl)phenyl]acetamide
CID 69070536
4-bromo-5-(2,2-dimethylpropyl)-2-[2-(trifluoromethyl)phenyl]-1H-pyrazol-3-one
CID 69298383
N-(2,4-dimethylphenyl)-2,2,2-trifluoroacetohydrazide
CID 87216278
4-(trifluoromethyl)-2-(2,4,6-trimethylphenyl)-1H-pyrazol-3-one
CID 141911608
2-[2,6-Dimethyl-4-(trifluoromethyl)phenyl]-4-(trifluoromethyl)pyrazolidin-3-one
CID 141911691
N-[7-fluoro-2-oxo-6-(trifluoromethyl)quinolin-1-yl]acetamide
CID 151694123
N-[2-oxo-6-(trifluoromethyl)quinolin-1-yl]acetamide
CID 153905802
2-bromo-N-(4-fluoro-2,6-dimethylphenyl)acetamide
CID 155100344
1-Amino-6-methyl-4-(trifluoromethyl)quinolin-2-one
CID 159184969

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N'-tert-butyl-N-[2,6-dimethyl-4-(trifluoromethyl)phenyl]acetohydrazide?
The IUPAC name of 2-bromo-N'-tert-butyl-N-[2,6-dimethyl-4-(trifluoromethyl)phenyl]acetohydrazide (CID 175940649) is 2-bromo-N'-tert-butyl-N-[2,6-dimethyl-4-(trifluoromethyl)phenyl]acetohydrazide.
What is the SMILES notation for 2-bromo-N'-tert-butyl-N-[2,6-dimethyl-4-(trifluoromethyl)phenyl]acetohydrazide?
The canonical SMILES for 2-bromo-N'-tert-butyl-N-[2,6-dimethyl-4-(trifluoromethyl)phenyl]acetohydrazide is Cc1cc(C(F)(F)F)cc(C)c1N(NC(C)(C)C)C(=O)CBr.
What is the InChIKey of 2-bromo-N'-tert-butyl-N-[2,6-dimethyl-4-(trifluoromethyl)phenyl]acetohydrazide?
The InChIKey is PPJBFXWLGIZICI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrF3N2O/c1-9-6-11(15(17,18)19)7-10(2)13(9)21(12(22)8-16)20-14(3,4)5/h6-7,20H,8H2,1-5H3.
What are the key properties of 2-bromo-N'-tert-butyl-N-[2,6-dimethyl-4-(trifluoromethyl)phenyl]acetohydrazide?
2-bromo-N'-tert-butyl-N-[2,6-dimethyl-4-(trifluoromethyl)phenyl]acetohydrazide has a molecular weight of 381.24 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N'-tert-butyl-N-[2,6-dimethyl-4-(trifluoromethyl)phenyl]acetohydrazide is sourced from PubChem (CID 175940649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).