N'-[2-(1-adamantyl)acetyl]-2-chloro-6-fluorobenzohydrazide

C19H22ClFN2O2 — CID 7917872

IUPACN'-[2-(1-adamantyl)acetyl]-2-chloro-6-fluorobenzohydrazide
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)NNC(=O)c1c(F)cccc1Cl
InChIInChI=1S/C19H22ClFN2O2/c20-14-2-1-3-15(21)17(14)18(25)23-22-16(24)10-19-7-11-4-12(8-19)6-13(5-11)9-19/h1-3,11-13H,4-10H2,(H,22,24)(H,23,25)
InChIKeyZUHHEZAIQUHPLT-UHFFFAOYSA-N
MW364.85 g/mol
LogP3.85
Rot. Bonds3

About N'-[2-(1-adamantyl)acetyl]-2-chloro-6-fluorobenzohydrazide

N'-[2-(1-adamantyl)acetyl]-2-chloro-6-fluorobenzohydrazide (PubChem CID 7917872) has the molecular formula C19H22ClFN2O2 and a molecular weight of 364.85 g/mol. Its IUPAC name is N'-[2-(1-adamantyl)acetyl]-2-chloro-6-fluorobenzohydrazide.

Molecular Properties

Compound NameN'-[2-(1-adamantyl)acetyl]-2-chloro-6-fluorobenzohydrazide
PubChem CID7917872
Molecular FormulaC19H22ClFN2O2
Molecular Weight364.85 g/mol
Exact Mass364.14
IUPAC NameN'-[2-(1-adamantyl)acetyl]-2-chloro-6-fluorobenzohydrazide
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)NNC(=O)c1c(F)cccc1Cl
InChIInChI=1S/C19H22ClFN2O2/c20-14-2-1-3-15(21)17(14)18(25)23-22-16(24)10-19-7-11-4-12(8-19)6-13(5-11)9-19/h1-3,11-13H,4-10H2,(H,22,24)(H,23,25)
InChIKeyZUHHEZAIQUHPLT-UHFFFAOYSA-N
XLogP3.85
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.85
LogP ≤ 53.85
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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Related Compounds

N'-[2-(1-adamantyl)acetyl]-3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbohydrazide
CID 26177283
N'-[2-(1-adamantyl)acetyl]-4-fluorobenzohydrazide
CID 7742285
2-(1-adamantyl)-N-(2,6-difluorophenyl)acetamide
CID 2741131
2-(1-adamantyl)-N'-[2-(2-fluorophenoxy)acetyl]acetohydrazide
CID 18285136
2-(1-adamantyl)-N-[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl]acetamide
CID 9401804
N'-[2-(1-adamantyl)acetyl]-3-bromobenzohydrazide
CID 40596742
2-(1-adamantyl)-N-[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl]acetamide
CID 4820820
N-[2-[[2-(1-adamantyl)acetyl]amino]ethyl]-2,5-dichlorobenzamide
CID 108539745
N'-[2-(1-adamantyl)acetyl]-3-(3-chloro-4-fluorophenyl)prop-2-enehydrazide
CID 85019516
N-[2-[[2-(1-adamantyl)acetyl]amino]ethyl]-2,4-dichlorobenzamide
CID 108571535
N'-[2-(1-adamantyl)acetyl]-2-chloropyridine-4-carbohydrazide
CID 34056969
2-(1-adamantyl)-N-[(2-chlorophenyl)methyl]acetamide
CID 8934558

Frequently Asked Questions

What is the IUPAC name of N'-[2-(1-adamantyl)acetyl]-2-chloro-6-fluorobenzohydrazide?
The IUPAC name of N'-[2-(1-adamantyl)acetyl]-2-chloro-6-fluorobenzohydrazide (CID 7917872) is N'-[2-(1-adamantyl)acetyl]-2-chloro-6-fluorobenzohydrazide.
What is the SMILES notation for N'-[2-(1-adamantyl)acetyl]-2-chloro-6-fluorobenzohydrazide?
The canonical SMILES for N'-[2-(1-adamantyl)acetyl]-2-chloro-6-fluorobenzohydrazide is O=C(CC12CC3CC(CC(C3)C1)C2)NNC(=O)c1c(F)cccc1Cl.
What is the InChIKey of N'-[2-(1-adamantyl)acetyl]-2-chloro-6-fluorobenzohydrazide?
The InChIKey is ZUHHEZAIQUHPLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClFN2O2/c20-14-2-1-3-15(21)17(14)18(25)23-22-16(24)10-19-7-11-4-12(8-19)6-13(5-11)9-19/h1-3,11-13H,4-10H2,(H,22,24)(H,23,25).
What are the key properties of N'-[2-(1-adamantyl)acetyl]-2-chloro-6-fluorobenzohydrazide?
N'-[2-(1-adamantyl)acetyl]-2-chloro-6-fluorobenzohydrazide has a molecular weight of 364.85 g/mol, XLogP of 3.85, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(1-adamantyl)acetyl]-2-chloro-6-fluorobenzohydrazide is sourced from PubChem (CID 7917872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).