N'-[2-(1-adamantyl)acetyl]-3-(3,4-difluorophenyl)propanehydrazide

C21H26F2N2O2 — CID 55605333

IUPACN'-[2-(1-adamantyl)acetyl]-3-(3,4-difluorophenyl)propanehydrazide
SMILESO=C(CCc1ccc(F)c(F)c1)NNC(=O)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C21H26F2N2O2/c22-17-3-1-13(8-18(17)23)2-4-19(26)24-25-20(27)12-21-9-14-5-15(10-21)7-16(6-14)11-21/h1,3,8,14-16H,2,4-7,9-12H2,(H,24,26)(H,25,27)
InChIKeyCGWKGILIVITYNY-UHFFFAOYSA-N
MW376.45 g/mol
LogP3.65
Rot. Bonds5

About N'-[2-(1-adamantyl)acetyl]-3-(3,4-difluorophenyl)propanehydrazide

N'-[2-(1-adamantyl)acetyl]-3-(3,4-difluorophenyl)propanehydrazide (PubChem CID 55605333) has the molecular formula C21H26F2N2O2 and a molecular weight of 376.45 g/mol. Its IUPAC name is N'-[2-(1-adamantyl)acetyl]-3-(3,4-difluorophenyl)propanehydrazide.

Molecular Properties

Compound NameN'-[2-(1-adamantyl)acetyl]-3-(3,4-difluorophenyl)propanehydrazide
PubChem CID55605333
Molecular FormulaC21H26F2N2O2
Molecular Weight376.45 g/mol
Exact Mass376.20
IUPAC NameN'-[2-(1-adamantyl)acetyl]-3-(3,4-difluorophenyl)propanehydrazide
SMILESO=C(CCc1ccc(F)c(F)c1)NNC(=O)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C21H26F2N2O2/c22-17-3-1-13(8-18(17)23)2-4-19(26)24-25-20(27)12-21-9-14-5-15(10-21)7-16(6-14)11-21/h1,3,8,14-16H,2,4-7,9-12H2,(H,24,26)(H,25,27)
InChIKeyCGWKGILIVITYNY-UHFFFAOYSA-N
XLogP3.65
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-[2-(1-adamantyl)acetyl]-3-(3,4-difluorophenyl)propanehydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[2-(1-adamantyl)acetyl]-3-(3,5-dimethoxyphenyl)propanehydrazide
CID 9086066
N'-[2-(1-adamantyl)acetyl]-2-(3-fluoro-4-methoxyphenyl)acetohydrazide
CID 9326362
1-[2-[2-[2-(1-adamantyl)acetyl]hydrazinyl]-2-oxoethyl]-3-[(4-fluorophenyl)methyl]urea
CID 24664912
2-(1-adamantyl)-N'-(4-chloro-2-fluorophenyl)sulfonylacetohydrazide
CID 8616537
N'-[2-(1-adamantyl)acetyl]-4-fluorobenzohydrazide
CID 7742285
2-(1-adamantyl)-N'-(3-chloro-4-fluorophenyl)sulfonylacetohydrazide
CID 8616511
2-(1-adamantyl)-N'-[2-(2-fluorophenoxy)acetyl]acetohydrazide
CID 18285136
N'-[2-(1-adamantyl)acetyl]-4-(4-methylphenyl)-4-oxobutanehydrazide
CID 26854795
N'-[2-(1-adamantyl)acetyl]-3-(3-chloro-4-fluorophenyl)prop-2-enehydrazide
CID 85019516
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
2-(1-adamantyl)-N-(2,6-difluorophenyl)acetamide
CID 2741131

Frequently Asked Questions

What is the IUPAC name of N'-[2-(1-adamantyl)acetyl]-3-(3,4-difluorophenyl)propanehydrazide?
The IUPAC name of N'-[2-(1-adamantyl)acetyl]-3-(3,4-difluorophenyl)propanehydrazide (CID 55605333) is N'-[2-(1-adamantyl)acetyl]-3-(3,4-difluorophenyl)propanehydrazide.
What is the SMILES notation for N'-[2-(1-adamantyl)acetyl]-3-(3,4-difluorophenyl)propanehydrazide?
The canonical SMILES for N'-[2-(1-adamantyl)acetyl]-3-(3,4-difluorophenyl)propanehydrazide is O=C(CCc1ccc(F)c(F)c1)NNC(=O)CC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N'-[2-(1-adamantyl)acetyl]-3-(3,4-difluorophenyl)propanehydrazide?
The InChIKey is CGWKGILIVITYNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26F2N2O2/c22-17-3-1-13(8-18(17)23)2-4-19(26)24-25-20(27)12-21-9-14-5-15(10-21)7-16(6-14)11-21/h1,3,8,14-16H,2,4-7,9-12H2,(H,24,26)(H,25,27).
What are the key properties of N'-[2-(1-adamantyl)acetyl]-3-(3,4-difluorophenyl)propanehydrazide?
N'-[2-(1-adamantyl)acetyl]-3-(3,4-difluorophenyl)propanehydrazide has a molecular weight of 376.45 g/mol, XLogP of 3.65, 5 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]-3-(3,4-difluorophenyl)propanehydrazide is sourced from PubChem (CID 55605333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).