N'-tert-butyl-N'-(3-chloro-4-fluorobenzoyl)-2,6-difluorobenzohydrazide

C18H16ClF3N2O2 — CID 70427017

IUPACN'-tert-butyl-N'-(3-chloro-4-fluorobenzoyl)-2,6-difluorobenzohydrazide
SMILESCC(C)(C)N(NC(=O)c1c(F)cccc1F)C(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C18H16ClF3N2O2/c1-18(2,3)24(17(26)10-7-8-12(20)11(19)9-10)23-16(25)15-13(21)5-4-6-14(15)22/h4-9H,1-3H3,(H,23,25)
InChIKeyVPMNRJSSLIFPLD-UHFFFAOYSA-N
MW384.79 g/mol
LogP4.34
Rot. Bonds2

About N'-tert-butyl-N'-(3-chloro-4-fluorobenzoyl)-2,6-difluorobenzohydrazide

N'-tert-butyl-N'-(3-chloro-4-fluorobenzoyl)-2,6-difluorobenzohydrazide (PubChem CID 70427017) has the molecular formula C18H16ClF3N2O2 and a molecular weight of 384.79 g/mol. Its IUPAC name is N'-tert-butyl-N'-(3-chloro-4-fluorobenzoyl)-2,6-difluorobenzohydrazide.

Molecular Properties

Compound NameN'-tert-butyl-N'-(3-chloro-4-fluorobenzoyl)-2,6-difluorobenzohydrazide
PubChem CID70427017
Molecular FormulaC18H16ClF3N2O2
Molecular Weight384.79 g/mol
Exact Mass384.09
IUPAC NameN'-tert-butyl-N'-(3-chloro-4-fluorobenzoyl)-2,6-difluorobenzohydrazide
SMILESCC(C)(C)N(NC(=O)c1c(F)cccc1F)C(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C18H16ClF3N2O2/c1-18(2,3)24(17(26)10-7-8-12(20)11(19)9-10)23-16(25)15-13(21)5-4-6-14(15)22/h4-9H,1-3H3,(H,23,25)
InChIKeyVPMNRJSSLIFPLD-UHFFFAOYSA-N
XLogP4.34
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.79
LogP ≤ 54.34
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-N'-(3-chloro-4-fluorobenzoyl)-2,6-difluorobenzohydrazide?
The IUPAC name of N'-tert-butyl-N'-(3-chloro-4-fluorobenzoyl)-2,6-difluorobenzohydrazide (CID 70427017) is N'-tert-butyl-N'-(3-chloro-4-fluorobenzoyl)-2,6-difluorobenzohydrazide.
What is the SMILES notation for N'-tert-butyl-N'-(3-chloro-4-fluorobenzoyl)-2,6-difluorobenzohydrazide?
The canonical SMILES for N'-tert-butyl-N'-(3-chloro-4-fluorobenzoyl)-2,6-difluorobenzohydrazide is CC(C)(C)N(NC(=O)c1c(F)cccc1F)C(=O)c1ccc(F)c(Cl)c1.
What is the InChIKey of N'-tert-butyl-N'-(3-chloro-4-fluorobenzoyl)-2,6-difluorobenzohydrazide?
The InChIKey is VPMNRJSSLIFPLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClF3N2O2/c1-18(2,3)24(17(26)10-7-8-12(20)11(19)9-10)23-16(25)15-13(21)5-4-6-14(15)22/h4-9H,1-3H3,(H,23,25).
What are the key properties of N'-tert-butyl-N'-(3-chloro-4-fluorobenzoyl)-2,6-difluorobenzohydrazide?
N'-tert-butyl-N'-(3-chloro-4-fluorobenzoyl)-2,6-difluorobenzohydrazide has a molecular weight of 384.79 g/mol, XLogP of 4.34, 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'-(3-chloro-4-fluorobenzoyl)-2,6-difluorobenzohydrazide is sourced from PubChem (CID 70427017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).