N'-[2-(1-adamantyl)acetyl]-4-fluorobenzohydrazide

C19H23FN2O2 — CID 7742285

IUPACN'-[2-(1-adamantyl)acetyl]-4-fluorobenzohydrazide
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)NNC(=O)c1ccc(F)cc1
InChIInChI=1S/C19H23FN2O2/c20-16-3-1-15(2-4-16)18(24)22-21-17(23)11-19-8-12-5-13(9-19)7-14(6-12)10-19/h1-4,12-14H,5-11H2,(H,21,23)(H,22,24)
InChIKeyHVMMVOOZEIZYIM-UHFFFAOYSA-N
MW330.40 g/mol
LogP3.19
Rot. Bonds3

About N'-[2-(1-adamantyl)acetyl]-4-fluorobenzohydrazide

N'-[2-(1-adamantyl)acetyl]-4-fluorobenzohydrazide (PubChem CID 7742285) has the molecular formula C19H23FN2O2 and a molecular weight of 330.40 g/mol. Its IUPAC name is N'-[2-(1-adamantyl)acetyl]-4-fluorobenzohydrazide.

Molecular Properties

Compound NameN'-[2-(1-adamantyl)acetyl]-4-fluorobenzohydrazide
PubChem CID7742285
Molecular FormulaC19H23FN2O2
Molecular Weight330.40 g/mol
Exact Mass330.17
IUPAC NameN'-[2-(1-adamantyl)acetyl]-4-fluorobenzohydrazide
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)NNC(=O)c1ccc(F)cc1
InChIInChI=1S/C19H23FN2O2/c20-16-3-1-15(2-4-16)18(24)22-21-17(23)11-19-8-12-5-13(9-19)7-14(6-12)10-19/h1-4,12-14H,5-11H2,(H,21,23)(H,22,24)
InChIKeyHVMMVOOZEIZYIM-UHFFFAOYSA-N
XLogP3.19
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.40
LogP ≤ 53.19
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]-4-tert-butylbenzohydrazide
CID 7917870
4-[[[2-(1-adamantyl)acetyl]amino]carbamoyl]benzenesulfonamide
CID 24636731
N'-[2-(1-adamantyl)acetyl]-4-(difluoromethylsulfonyl)benzohydrazide
CID 26177148
N'-[2-(1-adamantyl)acetyl]-4-(methylsulfanylmethyl)benzohydrazide
CID 7978897
1-[2-[2-[2-(1-adamantyl)acetyl]hydrazinyl]-2-oxoethyl]-3-[(4-fluorophenyl)methyl]urea
CID 24664912
2-(1-adamantyl)-N-[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl]acetamide
CID 4820820
N'-[2-(1-adamantyl)acetyl]-3-(4-fluorophenyl)sulfonylpropanehydrazide
CID 9475003
N'-[2-(1-adamantyl)acetyl]pyridine-3-carbohydrazide
CID 26641233
N'-[2-(1-adamantyl)acetyl]-3-bromobenzohydrazide
CID 40596742
N'-[2-(1-adamantyl)acetyl]-2-chloro-6-fluorobenzohydrazide
CID 7917872
N-[3-[2-[2-(1-adamantyl)acetyl]hydrazinyl]-3-oxopropyl]-4-fluorobenzenesulfonamide
CID 34056933
N'-[2-(1-adamantyl)acetyl]-3,5-dimethoxybenzohydrazide
CID 7742291

Frequently Asked Questions

What is the IUPAC name of N'-[2-(1-adamantyl)acetyl]-4-fluorobenzohydrazide?
The IUPAC name of N'-[2-(1-adamantyl)acetyl]-4-fluorobenzohydrazide (CID 7742285) is N'-[2-(1-adamantyl)acetyl]-4-fluorobenzohydrazide.
What is the SMILES notation for N'-[2-(1-adamantyl)acetyl]-4-fluorobenzohydrazide?
The canonical SMILES for N'-[2-(1-adamantyl)acetyl]-4-fluorobenzohydrazide is O=C(CC12CC3CC(CC(C3)C1)C2)NNC(=O)c1ccc(F)cc1.
What is the InChIKey of N'-[2-(1-adamantyl)acetyl]-4-fluorobenzohydrazide?
The InChIKey is HVMMVOOZEIZYIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O2/c20-16-3-1-15(2-4-16)18(24)22-21-17(23)11-19-8-12-5-13(9-19)7-14(6-12)10-19/h1-4,12-14H,5-11H2,(H,21,23)(H,22,24).
What are the key properties of N'-[2-(1-adamantyl)acetyl]-4-fluorobenzohydrazide?
N'-[2-(1-adamantyl)acetyl]-4-fluorobenzohydrazide has a molecular weight of 330.40 g/mol, XLogP of 3.19, 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]-4-fluorobenzohydrazide is sourced from PubChem (CID 7742285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).