N'-tert-butyl-N'-(2-chlorobenzoyl)-2-fluorobenzohydrazide

C18H18ClFN2O2 — CID 23276458

IUPACN'-tert-butyl-N'-(2-chlorobenzoyl)-2-fluorobenzohydrazide
SMILESCC(C)(C)N(NC(=O)c1ccccc1F)C(=O)c1ccccc1Cl
InChIInChI=1S/C18H18ClFN2O2/c1-18(2,3)22(17(24)12-8-4-6-10-14(12)19)21-16(23)13-9-5-7-11-15(13)20/h4-11H,1-3H3,(H,21,23)
InChIKeyIDPSJFMXNSAMMF-UHFFFAOYSA-N
MW348.81 g/mol
LogP4.06
Rot. Bonds2

About N'-tert-butyl-N'-(2-chlorobenzoyl)-2-fluorobenzohydrazide

N'-tert-butyl-N'-(2-chlorobenzoyl)-2-fluorobenzohydrazide (PubChem CID 23276458) has the molecular formula C18H18ClFN2O2 and a molecular weight of 348.81 g/mol. Its IUPAC name is N'-tert-butyl-N'-(2-chlorobenzoyl)-2-fluorobenzohydrazide.

Molecular Properties

Compound NameN'-tert-butyl-N'-(2-chlorobenzoyl)-2-fluorobenzohydrazide
PubChem CID23276458
Molecular FormulaC18H18ClFN2O2
Molecular Weight348.81 g/mol
Exact Mass348.10
IUPAC NameN'-tert-butyl-N'-(2-chlorobenzoyl)-2-fluorobenzohydrazide
SMILESCC(C)(C)N(NC(=O)c1ccccc1F)C(=O)c1ccccc1Cl
InChIInChI=1S/C18H18ClFN2O2/c1-18(2,3)22(17(24)12-8-4-6-10-14(12)19)21-16(23)13-9-5-7-11-15(13)20/h4-11H,1-3H3,(H,21,23)
InChIKeyIDPSJFMXNSAMMF-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'}

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Related Compounds

Halofenozide
CID 114994
2-Chloro-n'-(2-chlorobenzoyl)benzohydrazide
CID 258818
1,2-Dibenzoyl-1-(tert-butyl)hydrazine
CID 86307
Benzoic acid, 2,4-dichloro-, 2-benzoyl-1-(1,1-dimethylethyl)hydrazide
CID 181402
Benzoic acid, 2-iodo-, 2-benzoyl-1-(1,1-dimethylethyl)hydrazide
CID 183422
N'-benzoyl-N-tert-butyl-3,5-dimethylbenzohydrazide
CID 183463
N'-benzoyl-N-tert-butyl-2-chlorobenzohydrazide
CID 14626542
N-tert-butyl-2-chloro-N'-(4-chlorobenzoyl)benzohydrazide
CID 14626547
N'-benzoyl-N-tert-butyl-2-fluorobenzohydrazide
CID 14626557
N-tert-butyl-2-chloro-N'-(2-chlorobenzoyl)benzohydrazide
CID 15617803
N-tert-butyl-2-chloro-N'-(2-methylbenzoyl)benzohydrazide
CID 23276436
N-tert-butyl-2-chloro-N'-(4-methylbenzoyl)benzohydrazide
CID 23276437

Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-N'-(2-chlorobenzoyl)-2-fluorobenzohydrazide?
The IUPAC name of N'-tert-butyl-N'-(2-chlorobenzoyl)-2-fluorobenzohydrazide (CID 23276458) is N'-tert-butyl-N'-(2-chlorobenzoyl)-2-fluorobenzohydrazide.
What is the SMILES notation for N'-tert-butyl-N'-(2-chlorobenzoyl)-2-fluorobenzohydrazide?
The canonical SMILES for N'-tert-butyl-N'-(2-chlorobenzoyl)-2-fluorobenzohydrazide is CC(C)(C)N(NC(=O)c1ccccc1F)C(=O)c1ccccc1Cl.
What is the InChIKey of N'-tert-butyl-N'-(2-chlorobenzoyl)-2-fluorobenzohydrazide?
The InChIKey is IDPSJFMXNSAMMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFN2O2/c1-18(2,3)22(17(24)12-8-4-6-10-14(12)19)21-16(23)13-9-5-7-11-15(13)20/h4-11H,1-3H3,(H,21,23).
What are the key properties of N'-tert-butyl-N'-(2-chlorobenzoyl)-2-fluorobenzohydrazide?
N'-tert-butyl-N'-(2-chlorobenzoyl)-2-fluorobenzohydrazide 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-N'-(2-chlorobenzoyl)-2-fluorobenzohydrazide is sourced from PubChem (CID 23276458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).