N'-tert-butyl-N'-decanoyl-3-fluorobenzohydrazide

C21H33FN2O2 — CID 67922216

IUPACN'-tert-butyl-N'-decanoyl-3-fluorobenzohydrazide
SMILESCCCCCCCCCC(=O)N(NC(=O)c1cccc(F)c1)C(C)(C)C
InChIInChI=1S/C21H33FN2O2/c1-5-6-7-8-9-10-11-15-19(25)24(21(2,3)4)23-20(26)17-13-12-14-18(22)16-17/h12-14,16H,5-11,15H2,1-4H3,(H,23,26)
InChIKeyIPRKSQFIXJANKE-UHFFFAOYSA-N
MW364.51 g/mol
LogP5.24
Rot. Bonds9

About N'-tert-butyl-N'-decanoyl-3-fluorobenzohydrazide

N'-tert-butyl-N'-decanoyl-3-fluorobenzohydrazide (PubChem CID 67922216) has the molecular formula C21H33FN2O2 and a molecular weight of 364.51 g/mol. Its IUPAC name is N'-tert-butyl-N'-decanoyl-3-fluorobenzohydrazide.

Molecular Properties

Compound NameN'-tert-butyl-N'-decanoyl-3-fluorobenzohydrazide
PubChem CID67922216
Molecular FormulaC21H33FN2O2
Molecular Weight364.51 g/mol
Exact Mass364.25
IUPAC NameN'-tert-butyl-N'-decanoyl-3-fluorobenzohydrazide
SMILESCCCCCCCCCC(=O)N(NC(=O)c1cccc(F)c1)C(C)(C)C
InChIInChI=1S/C21H33FN2O2/c1-5-6-7-8-9-10-11-15-19(25)24(21(2,3)4)23-20(26)17-13-12-14-18(22)16-17/h12-14,16H,5-11,15H2,1-4H3,(H,23,26)
InChIKeyIPRKSQFIXJANKE-UHFFFAOYSA-N
XLogP5.24
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.51
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-tert-butyl-3-methyl-N'-octanoylbenzohydrazide
CID 67921776
N'-tert-butyl-N'-undecanoylbenzohydrazide
CID 67922028
N'-tert-butyl-N'-decanoylbenzohydrazide
CID 67921881
N-tert-butyl-3-fluoro-N'-nonanoylbenzohydrazide
CID 57220641
N'-tert-butyl-3-fluoro-N'-hept-2-ynoylbenzohydrazide
CID 67922133
N'-tert-butyl-3-fluoro-N'-pent-2-ynoylbenzohydrazide
CID 67922013
3-fluoro-N-octadecylbenzamide
CID 91711883
N'-(2-tert-butylundecanoyl)-3-fluorobenzohydrazide
CID 67922236
N-tert-butyl-3-fluoro-N'-non-5-ynoylbenzohydrazide
CID 67921828
N-tert-butyl-N'-(3-fluorobenzoyl)-4-methylthiadiazole-5-carbohydrazide
CID 44608867
3-fluoro-N,N-di(nonyl)benzamide
CID 533098
N'-butyl-3-fluorobenzohydrazide
CID 118418454

Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-N'-decanoyl-3-fluorobenzohydrazide?
The IUPAC name of N'-tert-butyl-N'-decanoyl-3-fluorobenzohydrazide (CID 67922216) is N'-tert-butyl-N'-decanoyl-3-fluorobenzohydrazide.
What is the SMILES notation for N'-tert-butyl-N'-decanoyl-3-fluorobenzohydrazide?
The canonical SMILES for N'-tert-butyl-N'-decanoyl-3-fluorobenzohydrazide is CCCCCCCCCC(=O)N(NC(=O)c1cccc(F)c1)C(C)(C)C.
What is the InChIKey of N'-tert-butyl-N'-decanoyl-3-fluorobenzohydrazide?
The InChIKey is IPRKSQFIXJANKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33FN2O2/c1-5-6-7-8-9-10-11-15-19(25)24(21(2,3)4)23-20(26)17-13-12-14-18(22)16-17/h12-14,16H,5-11,15H2,1-4H3,(H,23,26).
What are the key properties of N'-tert-butyl-N'-decanoyl-3-fluorobenzohydrazide?
N'-tert-butyl-N'-decanoyl-3-fluorobenzohydrazide has a molecular weight of 364.51 g/mol, XLogP of 5.24, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-N'-decanoyl-3-fluorobenzohydrazide is sourced from PubChem (CID 67922216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).