N'-tert-butyl-N'-(3,5-dichlorobenzoyl)-4-ethyl-2-fluorobenzohydrazide

C20H21Cl2FN2O2 — CID 59838627

IUPACN'-tert-butyl-N'-(3,5-dichlorobenzoyl)-4-ethyl-2-fluorobenzohydrazide
SMILESCCc1ccc(C(=O)NN(C(=O)c2cc(Cl)cc(Cl)c2)C(C)(C)C)c(F)c1
InChIInChI=1S/C20H21Cl2FN2O2/c1-5-12-6-7-16(17(23)8-12)18(26)24-25(20(2,3)4)19(27)13-9-14(21)11-15(22)10-13/h6-11H,5H2,1-4H3,(H,24,26)
InChIKeyPAIOQEPGBVQCAM-UHFFFAOYSA-N
MW411.30 g/mol
LogP5.28
Rot. Bonds3

About N'-tert-butyl-N'-(3,5-dichlorobenzoyl)-4-ethyl-2-fluorobenzohydrazide

N'-tert-butyl-N'-(3,5-dichlorobenzoyl)-4-ethyl-2-fluorobenzohydrazide (PubChem CID 59838627) has the molecular formula C20H21Cl2FN2O2 and a molecular weight of 411.30 g/mol. Its IUPAC name is N'-tert-butyl-N'-(3,5-dichlorobenzoyl)-4-ethyl-2-fluorobenzohydrazide.

Molecular Properties

Compound NameN'-tert-butyl-N'-(3,5-dichlorobenzoyl)-4-ethyl-2-fluorobenzohydrazide
PubChem CID59838627
Molecular FormulaC20H21Cl2FN2O2
Molecular Weight411.30 g/mol
Exact Mass410.10
IUPAC NameN'-tert-butyl-N'-(3,5-dichlorobenzoyl)-4-ethyl-2-fluorobenzohydrazide
SMILESCCc1ccc(C(=O)NN(C(=O)c2cc(Cl)cc(Cl)c2)C(C)(C)C)c(F)c1
InChIInChI=1S/C20H21Cl2FN2O2/c1-5-12-6-7-16(17(23)8-12)18(26)24-25(20(2,3)4)19(27)13-9-14(21)11-15(22)10-13/h6-11H,5H2,1-4H3,(H,24,26)
InChIKeyPAIOQEPGBVQCAM-UHFFFAOYSA-N
XLogP5.28
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.30
LogP ≤ 55.28
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-N'-(3,5-dichlorobenzoyl)-4-ethyl-2-fluorobenzohydrazide 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-N'-(3,5-dichlorobenzoyl)-4-ethyl-2-fluorobenzohydrazide?
The IUPAC name of N'-tert-butyl-N'-(3,5-dichlorobenzoyl)-4-ethyl-2-fluorobenzohydrazide (CID 59838627) is N'-tert-butyl-N'-(3,5-dichlorobenzoyl)-4-ethyl-2-fluorobenzohydrazide.
What is the SMILES notation for N'-tert-butyl-N'-(3,5-dichlorobenzoyl)-4-ethyl-2-fluorobenzohydrazide?
The canonical SMILES for N'-tert-butyl-N'-(3,5-dichlorobenzoyl)-4-ethyl-2-fluorobenzohydrazide is CCc1ccc(C(=O)NN(C(=O)c2cc(Cl)cc(Cl)c2)C(C)(C)C)c(F)c1.
What is the InChIKey of N'-tert-butyl-N'-(3,5-dichlorobenzoyl)-4-ethyl-2-fluorobenzohydrazide?
The InChIKey is PAIOQEPGBVQCAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl2FN2O2/c1-5-12-6-7-16(17(23)8-12)18(26)24-25(20(2,3)4)19(27)13-9-14(21)11-15(22)10-13/h6-11H,5H2,1-4H3,(H,24,26).
What are the key properties of N'-tert-butyl-N'-(3,5-dichlorobenzoyl)-4-ethyl-2-fluorobenzohydrazide?
N'-tert-butyl-N'-(3,5-dichlorobenzoyl)-4-ethyl-2-fluorobenzohydrazide has a molecular weight of 411.30 g/mol, XLogP of 5.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-N'-(3,5-dichlorobenzoyl)-4-ethyl-2-fluorobenzohydrazide is sourced from PubChem (CID 59838627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).