N-tert-butyl-2-chloro-N'-(trifluoromethyl)benzohydrazide

C12H14ClF3N2O — CID 19367989

IUPACN-tert-butyl-2-chloro-N'-(trifluoromethyl)benzohydrazide
SMILESCC(C)(C)N(NC(F)(F)F)C(=O)c1ccccc1Cl
InChIInChI=1S/C12H14ClF3N2O/c1-11(2,3)18(17-12(14,15)16)10(19)8-6-4-5-7-9(8)13/h4-7,17H,1-3H3
InChIKeySJGLVDALRDZUOI-UHFFFAOYSA-N
MW294.70 g/mol
LogP3.61
Rot. Bonds2

About N-tert-butyl-2-chloro-N'-(trifluoromethyl)benzohydrazide

N-tert-butyl-2-chloro-N'-(trifluoromethyl)benzohydrazide (PubChem CID 19367989) has the molecular formula C12H14ClF3N2O and a molecular weight of 294.70 g/mol. Its IUPAC name is N-tert-butyl-2-chloro-N'-(trifluoromethyl)benzohydrazide.

Molecular Properties

Compound NameN-tert-butyl-2-chloro-N'-(trifluoromethyl)benzohydrazide
PubChem CID19367989
Molecular FormulaC12H14ClF3N2O
Molecular Weight294.70 g/mol
Exact Mass294.07
IUPAC NameN-tert-butyl-2-chloro-N'-(trifluoromethyl)benzohydrazide
SMILESCC(C)(C)N(NC(F)(F)F)C(=O)c1ccccc1Cl
InChIInChI=1S/C12H14ClF3N2O/c1-11(2,3)18(17-12(14,15)16)10(19)8-6-4-5-7-9(8)13/h4-7,17H,1-3H3
InChIKeySJGLVDALRDZUOI-UHFFFAOYSA-N
XLogP3.61
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.70
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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2-chloro-N-[2-(2-fluorophenyl)propan-2-yl]benzamide
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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-chloro-N'-(trifluoromethyl)benzohydrazide?
The IUPAC name of N-tert-butyl-2-chloro-N'-(trifluoromethyl)benzohydrazide (CID 19367989) is N-tert-butyl-2-chloro-N'-(trifluoromethyl)benzohydrazide.
What is the SMILES notation for N-tert-butyl-2-chloro-N'-(trifluoromethyl)benzohydrazide?
The canonical SMILES for N-tert-butyl-2-chloro-N'-(trifluoromethyl)benzohydrazide is CC(C)(C)N(NC(F)(F)F)C(=O)c1ccccc1Cl.
What is the InChIKey of N-tert-butyl-2-chloro-N'-(trifluoromethyl)benzohydrazide?
The InChIKey is SJGLVDALRDZUOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClF3N2O/c1-11(2,3)18(17-12(14,15)16)10(19)8-6-4-5-7-9(8)13/h4-7,17H,1-3H3.
What are the key properties of N-tert-butyl-2-chloro-N'-(trifluoromethyl)benzohydrazide?
N-tert-butyl-2-chloro-N'-(trifluoromethyl)benzohydrazide has a molecular weight of 294.70 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-chloro-N'-(trifluoromethyl)benzohydrazide is sourced from PubChem (CID 19367989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).