N'-(2-tert-butylundecanoyl)-3-fluorobenzohydrazide

C22H35FN2O2 — CID 67922236

IUPACN'-(2-tert-butylundecanoyl)-3-fluorobenzohydrazide
SMILESCCCCCCCCCC(C(=O)NNC(=O)c1cccc(F)c1)C(C)(C)C
InChIInChI=1S/C22H35FN2O2/c1-5-6-7-8-9-10-11-15-19(22(2,3)4)21(27)25-24-20(26)17-13-12-14-18(23)16-17/h12-14,16,19H,5-11,15H2,1-4H3,(H,24,26)(H,25,27)
InChIKeyIHKVUDUMJGEUFQ-UHFFFAOYSA-N
MW378.53 g/mol
LogP5.39
Rot. Bonds10

About N'-(2-tert-butylundecanoyl)-3-fluorobenzohydrazide

N'-(2-tert-butylundecanoyl)-3-fluorobenzohydrazide (PubChem CID 67922236) has the molecular formula C22H35FN2O2 and a molecular weight of 378.53 g/mol. Its IUPAC name is N'-(2-tert-butylundecanoyl)-3-fluorobenzohydrazide.

Molecular Properties

Compound NameN'-(2-tert-butylundecanoyl)-3-fluorobenzohydrazide
PubChem CID67922236
Molecular FormulaC22H35FN2O2
Molecular Weight378.53 g/mol
Exact Mass378.27
IUPAC NameN'-(2-tert-butylundecanoyl)-3-fluorobenzohydrazide
SMILESCCCCCCCCCC(C(=O)NNC(=O)c1cccc(F)c1)C(C)(C)C
InChIInChI=1S/C22H35FN2O2/c1-5-6-7-8-9-10-11-15-19(22(2,3)4)21(27)25-24-20(26)17-13-12-14-18(23)16-17/h12-14,16,19H,5-11,15H2,1-4H3,(H,24,26)(H,25,27)
InChIKeyIHKVUDUMJGEUFQ-UHFFFAOYSA-N
XLogP5.39
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.53
LogP ≤ 55.39
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of N'-(2-tert-butylundecanoyl)-3-fluorobenzohydrazide?
The IUPAC name of N'-(2-tert-butylundecanoyl)-3-fluorobenzohydrazide (CID 67922236) is N'-(2-tert-butylundecanoyl)-3-fluorobenzohydrazide.
What is the SMILES notation for N'-(2-tert-butylundecanoyl)-3-fluorobenzohydrazide?
The canonical SMILES for N'-(2-tert-butylundecanoyl)-3-fluorobenzohydrazide is CCCCCCCCCC(C(=O)NNC(=O)c1cccc(F)c1)C(C)(C)C.
What is the InChIKey of N'-(2-tert-butylundecanoyl)-3-fluorobenzohydrazide?
The InChIKey is IHKVUDUMJGEUFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35FN2O2/c1-5-6-7-8-9-10-11-15-19(22(2,3)4)21(27)25-24-20(26)17-13-12-14-18(23)16-17/h12-14,16,19H,5-11,15H2,1-4H3,(H,24,26)(H,25,27).
What are the key properties of N'-(2-tert-butylundecanoyl)-3-fluorobenzohydrazide?
N'-(2-tert-butylundecanoyl)-3-fluorobenzohydrazide has a molecular weight of 378.53 g/mol, XLogP of 5.39, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-tert-butylundecanoyl)-3-fluorobenzohydrazide is sourced from PubChem (CID 67922236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).