N'-(4-fluorobenzoyl)-1,2,3,4-tetrahydronaphthalene-1-carbohydrazide

C18H17FN2O2 — CID 42946608

IUPACN'-(4-fluorobenzoyl)-1,2,3,4-tetrahydronaphthalene-1-carbohydrazide
SMILESO=C(NNC(=O)C1CCCc2ccccc21)c1ccc(F)cc1
InChIInChI=1S/C18H17FN2O2/c19-14-10-8-13(9-11-14)17(22)20-21-18(23)16-7-3-5-12-4-1-2-6-15(12)16/h1-2,4,6,8-11,16H,3,5,7H2,(H,20,22)(H,21,23)
InChIKeyDUVJKLOJQVDODI-UHFFFAOYSA-N
MW312.34 g/mol
LogP2.71
Rot. Bonds2

About N'-(4-fluorobenzoyl)-1,2,3,4-tetrahydronaphthalene-1-carbohydrazide

N'-(4-fluorobenzoyl)-1,2,3,4-tetrahydronaphthalene-1-carbohydrazide (PubChem CID 42946608) has the molecular formula C18H17FN2O2 and a molecular weight of 312.34 g/mol. Its IUPAC name is N'-(4-fluorobenzoyl)-1,2,3,4-tetrahydronaphthalene-1-carbohydrazide.

Molecular Properties

Compound NameN'-(4-fluorobenzoyl)-1,2,3,4-tetrahydronaphthalene-1-carbohydrazide
PubChem CID42946608
Molecular FormulaC18H17FN2O2
Molecular Weight312.34 g/mol
Exact Mass312.13
IUPAC NameN'-(4-fluorobenzoyl)-1,2,3,4-tetrahydronaphthalene-1-carbohydrazide
SMILESO=C(NNC(=O)C1CCCc2ccccc21)c1ccc(F)cc1
InChIInChI=1S/C18H17FN2O2/c19-14-10-8-13(9-11-14)17(22)20-21-18(23)16-7-3-5-12-4-1-2-6-15(12)16/h1-2,4,6,8-11,16H,3,5,7H2,(H,20,22)(H,21,23)
InChIKeyDUVJKLOJQVDODI-UHFFFAOYSA-N
XLogP2.71
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 52.71
H-Bond Donors ≤ 52
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'-(4-fluorobenzoyl)-1,2,3,4-tetrahydronaphthalene-1-carbohydrazide?
The IUPAC name of N'-(4-fluorobenzoyl)-1,2,3,4-tetrahydronaphthalene-1-carbohydrazide (CID 42946608) is N'-(4-fluorobenzoyl)-1,2,3,4-tetrahydronaphthalene-1-carbohydrazide.
What is the SMILES notation for N'-(4-fluorobenzoyl)-1,2,3,4-tetrahydronaphthalene-1-carbohydrazide?
The canonical SMILES for N'-(4-fluorobenzoyl)-1,2,3,4-tetrahydronaphthalene-1-carbohydrazide is O=C(NNC(=O)C1CCCc2ccccc21)c1ccc(F)cc1.
What is the InChIKey of N'-(4-fluorobenzoyl)-1,2,3,4-tetrahydronaphthalene-1-carbohydrazide?
The InChIKey is DUVJKLOJQVDODI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O2/c19-14-10-8-13(9-11-14)17(22)20-21-18(23)16-7-3-5-12-4-1-2-6-15(12)16/h1-2,4,6,8-11,16H,3,5,7H2,(H,20,22)(H,21,23).
What are the key properties of N'-(4-fluorobenzoyl)-1,2,3,4-tetrahydronaphthalene-1-carbohydrazide?
N'-(4-fluorobenzoyl)-1,2,3,4-tetrahydronaphthalene-1-carbohydrazide has a molecular weight of 312.34 g/mol, XLogP of 2.71, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-fluorobenzoyl)-1,2,3,4-tetrahydronaphthalene-1-carbohydrazide is sourced from PubChem (CID 42946608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).