N'-tert-butyl-3-chloro-N'-(3,4-dichlorobenzoyl)-4-fluorobenzohydrazide

C18H16Cl3FN2O2 — CID 70427409

IUPACN'-tert-butyl-3-chloro-N'-(3,4-dichlorobenzoyl)-4-fluorobenzohydrazide
SMILESCC(C)(C)N(NC(=O)c1ccc(F)c(Cl)c1)C(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H16Cl3FN2O2/c1-18(2,3)24(17(26)11-4-6-12(19)13(20)9-11)23-16(25)10-5-7-15(22)14(21)8-10/h4-9H,1-3H3,(H,23,25)
InChIKeyGDVFSTUSNMMUOS-UHFFFAOYSA-N
MW417.70 g/mol
LogP5.37
Rot. Bonds2

About N'-tert-butyl-3-chloro-N'-(3,4-dichlorobenzoyl)-4-fluorobenzohydrazide

N'-tert-butyl-3-chloro-N'-(3,4-dichlorobenzoyl)-4-fluorobenzohydrazide (PubChem CID 70427409) has the molecular formula C18H16Cl3FN2O2 and a molecular weight of 417.70 g/mol. Its IUPAC name is N'-tert-butyl-3-chloro-N'-(3,4-dichlorobenzoyl)-4-fluorobenzohydrazide.

Molecular Properties

Compound NameN'-tert-butyl-3-chloro-N'-(3,4-dichlorobenzoyl)-4-fluorobenzohydrazide
PubChem CID70427409
Molecular FormulaC18H16Cl3FN2O2
Molecular Weight417.70 g/mol
Exact Mass416.03
IUPAC NameN'-tert-butyl-3-chloro-N'-(3,4-dichlorobenzoyl)-4-fluorobenzohydrazide
SMILESCC(C)(C)N(NC(=O)c1ccc(F)c(Cl)c1)C(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H16Cl3FN2O2/c1-18(2,3)24(17(26)11-4-6-12(19)13(20)9-11)23-16(25)10-5-7-15(22)14(21)8-10/h4-9H,1-3H3,(H,23,25)
InChIKeyGDVFSTUSNMMUOS-UHFFFAOYSA-N
XLogP5.37
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.70
LogP ≤ 55.37
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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Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-3-chloro-N'-(3,4-dichlorobenzoyl)-4-fluorobenzohydrazide?
The IUPAC name of N'-tert-butyl-3-chloro-N'-(3,4-dichlorobenzoyl)-4-fluorobenzohydrazide (CID 70427409) is N'-tert-butyl-3-chloro-N'-(3,4-dichlorobenzoyl)-4-fluorobenzohydrazide.
What is the SMILES notation for N'-tert-butyl-3-chloro-N'-(3,4-dichlorobenzoyl)-4-fluorobenzohydrazide?
The canonical SMILES for N'-tert-butyl-3-chloro-N'-(3,4-dichlorobenzoyl)-4-fluorobenzohydrazide is CC(C)(C)N(NC(=O)c1ccc(F)c(Cl)c1)C(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N'-tert-butyl-3-chloro-N'-(3,4-dichlorobenzoyl)-4-fluorobenzohydrazide?
The InChIKey is GDVFSTUSNMMUOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl3FN2O2/c1-18(2,3)24(17(26)11-4-6-12(19)13(20)9-11)23-16(25)10-5-7-15(22)14(21)8-10/h4-9H,1-3H3,(H,23,25).
What are the key properties of N'-tert-butyl-3-chloro-N'-(3,4-dichlorobenzoyl)-4-fluorobenzohydrazide?
N'-tert-butyl-3-chloro-N'-(3,4-dichlorobenzoyl)-4-fluorobenzohydrazide has a molecular weight of 417.70 g/mol, XLogP of 5.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-3-chloro-N'-(3,4-dichlorobenzoyl)-4-fluorobenzohydrazide is sourced from PubChem (CID 70427409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).