N'-(2-fluorobenzoyl)adamantane-1-carbohydrazide

C18H21FN2O2 — CID 585110

IUPACN'-(2-fluorobenzoyl)adamantane-1-carbohydrazide
SMILESO=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)c1ccccc1F
InChIInChI=1S/C18H21FN2O2/c19-15-4-2-1-3-14(15)16(22)20-21-17(23)18-8-11-5-12(9-18)7-13(6-11)10-18/h1-4,11-13H,5-10H2,(H,20,22)(H,21,23)
InChIKeyLWUDECYTRCQYLZ-UHFFFAOYSA-N
MW316.38 g/mol
LogP2.80
Rot. Bonds2

About N'-(2-fluorobenzoyl)adamantane-1-carbohydrazide

N'-(2-fluorobenzoyl)adamantane-1-carbohydrazide (PubChem CID 585110) has the molecular formula C18H21FN2O2 and a molecular weight of 316.38 g/mol. Its IUPAC name is N'-(2-fluorobenzoyl)adamantane-1-carbohydrazide.

Molecular Properties

Compound NameN'-(2-fluorobenzoyl)adamantane-1-carbohydrazide
PubChem CID585110
Molecular FormulaC18H21FN2O2
Molecular Weight316.38 g/mol
Exact Mass316.16
IUPAC NameN'-(2-fluorobenzoyl)adamantane-1-carbohydrazide
SMILESO=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)c1ccccc1F
InChIInChI=1S/C18H21FN2O2/c19-15-4-2-1-3-14(15)16(22)20-21-17(23)18-8-11-5-12(9-18)7-13(6-11)10-18/h1-4,11-13H,5-10H2,(H,20,22)(H,21,23)
InChIKeyLWUDECYTRCQYLZ-UHFFFAOYSA-N
XLogP2.80
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 52.80
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'-(2-fluorobenzoyl)adamantane-1-carbohydrazide?
The IUPAC name of N'-(2-fluorobenzoyl)adamantane-1-carbohydrazide (CID 585110) is N'-(2-fluorobenzoyl)adamantane-1-carbohydrazide.
What is the SMILES notation for N'-(2-fluorobenzoyl)adamantane-1-carbohydrazide?
The canonical SMILES for N'-(2-fluorobenzoyl)adamantane-1-carbohydrazide is O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)c1ccccc1F.
What is the InChIKey of N'-(2-fluorobenzoyl)adamantane-1-carbohydrazide?
The InChIKey is LWUDECYTRCQYLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O2/c19-15-4-2-1-3-14(15)16(22)20-21-17(23)18-8-11-5-12(9-18)7-13(6-11)10-18/h1-4,11-13H,5-10H2,(H,20,22)(H,21,23).
What are the key properties of N'-(2-fluorobenzoyl)adamantane-1-carbohydrazide?
N'-(2-fluorobenzoyl)adamantane-1-carbohydrazide has a molecular weight of 316.38 g/mol, XLogP of 2.80, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-fluorobenzoyl)adamantane-1-carbohydrazide is sourced from PubChem (CID 585110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).