N'-[1-(1-adamantyl)ethyl]-4-(trifluoromethyl)benzohydrazide

C20H25F3N2O — CID 164626898

IUPACN'-[1-(1-adamantyl)ethyl]-4-(trifluoromethyl)benzohydrazide
SMILESCC(NNC(=O)c1ccc(C(F)(F)F)cc1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H25F3N2O/c1-12(19-9-13-6-14(10-19)8-15(7-13)11-19)24-25-18(26)16-2-4-17(5-3-16)20(21,22)23/h2-5,12-15,24H,6-11H2,1H3,(H,25,26)
InChIKeyVVBVERYXPHOGOU-UHFFFAOYSA-N
MW366.43 g/mol
LogP4.54
Rot. Bonds4

About N'-[1-(1-adamantyl)ethyl]-4-(trifluoromethyl)benzohydrazide

N'-[1-(1-adamantyl)ethyl]-4-(trifluoromethyl)benzohydrazide (PubChem CID 164626898) has the molecular formula C20H25F3N2O and a molecular weight of 366.43 g/mol. Its IUPAC name is N'-[1-(1-adamantyl)ethyl]-4-(trifluoromethyl)benzohydrazide.

Molecular Properties

Compound NameN'-[1-(1-adamantyl)ethyl]-4-(trifluoromethyl)benzohydrazide
PubChem CID164626898
Molecular FormulaC20H25F3N2O
Molecular Weight366.43 g/mol
Exact Mass366.19
IUPAC NameN'-[1-(1-adamantyl)ethyl]-4-(trifluoromethyl)benzohydrazide
SMILESCC(NNC(=O)c1ccc(C(F)(F)F)cc1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H25F3N2O/c1-12(19-9-13-6-14(10-19)8-15(7-13)11-19)24-25-18(26)16-2-4-17(5-3-16)20(21,22)23/h2-5,12-15,24H,6-11H2,1H3,(H,25,26)
InChIKeyVVBVERYXPHOGOU-UHFFFAOYSA-N
XLogP4.54
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N'-[1-(1-adamantyl)ethyl]-4-(trifluoromethyl)benzohydrazide 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-[(1R)-1-(1-adamantyl)ethyl]-3,5-bis(trifluoromethyl)benzamide
CID 7309342
N-[1-(1-adamantyl)ethyl]-4-iodobenzamide
CID 5104352
N-[1-(1-adamantyl)ethyl]-4-(difluoromethoxy)benzamide
CID 5162241
N-[(1R)-1-(1-adamantyl)ethyl]-4-propan-2-yloxybenzamide
CID 7929555
N-[(1R)-1-(1-adamantyl)ethyl]-4-cyanobenzamide
CID 7689203
N-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]adamantane-1-carboxamide
CID 37354931
N-[(1S)-1-(1-adamantyl)ethyl]-4-(difluoromethylsulfonyl)benzamide
CID 7860707
N-[(1R)-1-(1-adamantyl)ethyl]-4-nitrobenzamide
CID 7331710
N'-(1-adamantyl)-3-(trifluoromethyl)benzohydrazide
CID 134093435
N'-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]benzohydrazide
CID 146167409
N-[1-(1-adamantyl)ethyl]-N'-(4-aminobenzoyl)oxamide
CID 108509154
N-[(1R)-1-(1-adamantyl)ethyl]-4-(methylsulfanylmethyl)benzamide
CID 7929515

Frequently Asked Questions

What is the IUPAC name of N'-[1-(1-adamantyl)ethyl]-4-(trifluoromethyl)benzohydrazide?
The IUPAC name of N'-[1-(1-adamantyl)ethyl]-4-(trifluoromethyl)benzohydrazide (CID 164626898) is N'-[1-(1-adamantyl)ethyl]-4-(trifluoromethyl)benzohydrazide.
What is the SMILES notation for N'-[1-(1-adamantyl)ethyl]-4-(trifluoromethyl)benzohydrazide?
The canonical SMILES for N'-[1-(1-adamantyl)ethyl]-4-(trifluoromethyl)benzohydrazide is CC(NNC(=O)c1ccc(C(F)(F)F)cc1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N'-[1-(1-adamantyl)ethyl]-4-(trifluoromethyl)benzohydrazide?
The InChIKey is VVBVERYXPHOGOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F3N2O/c1-12(19-9-13-6-14(10-19)8-15(7-13)11-19)24-25-18(26)16-2-4-17(5-3-16)20(21,22)23/h2-5,12-15,24H,6-11H2,1H3,(H,25,26).
What are the key properties of N'-[1-(1-adamantyl)ethyl]-4-(trifluoromethyl)benzohydrazide?
N'-[1-(1-adamantyl)ethyl]-4-(trifluoromethyl)benzohydrazide has a molecular weight of 366.43 g/mol, XLogP of 4.54, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(1-adamantyl)ethyl]-4-(trifluoromethyl)benzohydrazide is sourced from PubChem (CID 164626898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).