N-tert-butyl-2-chloro-N'-(3-fluorobenzoyl)benzohydrazide

C18H18ClFN2O2 — CID 23276456

IUPACN-tert-butyl-2-chloro-N'-(3-fluorobenzoyl)benzohydrazide
SMILESCC(C)(C)N(NC(=O)c1cccc(F)c1)C(=O)c1ccccc1Cl
InChIInChI=1S/C18H18ClFN2O2/c1-18(2,3)22(17(24)14-9-4-5-10-15(14)19)21-16(23)12-7-6-8-13(20)11-12/h4-11H,1-3H3,(H,21,23)
InChIKeySISYMEZDIREZLL-UHFFFAOYSA-N
MW348.81 g/mol
LogP4.06
Rot. Bonds2

About N-tert-butyl-2-chloro-N'-(3-fluorobenzoyl)benzohydrazide

N-tert-butyl-2-chloro-N'-(3-fluorobenzoyl)benzohydrazide (PubChem CID 23276456) has the molecular formula C18H18ClFN2O2 and a molecular weight of 348.81 g/mol. Its IUPAC name is N-tert-butyl-2-chloro-N'-(3-fluorobenzoyl)benzohydrazide.

Molecular Properties

Compound NameN-tert-butyl-2-chloro-N'-(3-fluorobenzoyl)benzohydrazide
PubChem CID23276456
Molecular FormulaC18H18ClFN2O2
Molecular Weight348.81 g/mol
Exact Mass348.10
IUPAC NameN-tert-butyl-2-chloro-N'-(3-fluorobenzoyl)benzohydrazide
SMILESCC(C)(C)N(NC(=O)c1cccc(F)c1)C(=O)c1ccccc1Cl
InChIInChI=1S/C18H18ClFN2O2/c1-18(2,3)22(17(24)14-9-4-5-10-15(14)19)21-16(23)12-7-6-8-13(20)11-12/h4-11H,1-3H3,(H,21,23)
InChIKeySISYMEZDIREZLL-UHFFFAOYSA-N
XLogP4.06
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.81
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-tert-butyl-2-chloro-N'-(3-fluorobenzoyl)benzohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-chloro-N'-(3-fluorobenzoyl)benzohydrazide?
The IUPAC name of N-tert-butyl-2-chloro-N'-(3-fluorobenzoyl)benzohydrazide (CID 23276456) is N-tert-butyl-2-chloro-N'-(3-fluorobenzoyl)benzohydrazide.
What is the SMILES notation for N-tert-butyl-2-chloro-N'-(3-fluorobenzoyl)benzohydrazide?
The canonical SMILES for N-tert-butyl-2-chloro-N'-(3-fluorobenzoyl)benzohydrazide is CC(C)(C)N(NC(=O)c1cccc(F)c1)C(=O)c1ccccc1Cl.
What is the InChIKey of N-tert-butyl-2-chloro-N'-(3-fluorobenzoyl)benzohydrazide?
The InChIKey is SISYMEZDIREZLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFN2O2/c1-18(2,3)22(17(24)14-9-4-5-10-15(14)19)21-16(23)12-7-6-8-13(20)11-12/h4-11H,1-3H3,(H,21,23).
What are the key properties of N-tert-butyl-2-chloro-N'-(3-fluorobenzoyl)benzohydrazide?
N-tert-butyl-2-chloro-N'-(3-fluorobenzoyl)benzohydrazide has a molecular weight of 348.81 g/mol, XLogP of 4.06, 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'-(3-fluorobenzoyl)benzohydrazide is sourced from PubChem (CID 23276456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).