N'-(1-adamantyl)-3-(trifluoromethyl)benzohydrazide

C18H21F3N2O — CID 134093435

IUPACN'-(1-adamantyl)-3-(trifluoromethyl)benzohydrazide
SMILESO=C(NNC12CC3CC(CC(C3)C1)C2)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H21F3N2O/c19-18(20,21)15-3-1-2-14(7-15)16(24)22-23-17-8-11-4-12(9-17)6-13(5-11)10-17/h1-3,7,11-13,23H,4-6,8-10H2,(H,22,24)
InChIKeyRHPDTQGYVBIBGH-UHFFFAOYSA-N
MW338.37 g/mol
LogP3.91
Rot. Bonds3

About N'-(1-adamantyl)-3-(trifluoromethyl)benzohydrazide

N'-(1-adamantyl)-3-(trifluoromethyl)benzohydrazide (PubChem CID 134093435) has the molecular formula C18H21F3N2O and a molecular weight of 338.37 g/mol. Its IUPAC name is N'-(1-adamantyl)-3-(trifluoromethyl)benzohydrazide.

Molecular Properties

Compound NameN'-(1-adamantyl)-3-(trifluoromethyl)benzohydrazide
PubChem CID134093435
Molecular FormulaC18H21F3N2O
Molecular Weight338.37 g/mol
Exact Mass338.16
IUPAC NameN'-(1-adamantyl)-3-(trifluoromethyl)benzohydrazide
SMILESO=C(NNC12CC3CC(CC(C3)C1)C2)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H21F3N2O/c19-18(20,21)15-3-1-2-14(7-15)16(24)22-23-17-8-11-4-12(9-17)6-13(5-11)10-17/h1-3,7,11-13,23H,4-6,8-10H2,(H,22,24)
InChIKeyRHPDTQGYVBIBGH-UHFFFAOYSA-N
XLogP3.91
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 53.91
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-(1-adamantylmethyl)-3-(trifluoromethyl)benzamide
CID 4553132
N'-(3-hydroxybenzoyl)-3-(trifluoromethyl)benzohydrazide
CID 17393057
3-(trifluoromethyl)-N'-[4-(trifluoromethyl)-2-pyridinyl]benzohydrazide
CID 599454
N'-[3-(trifluoromethyl)benzoyl]thiophene-2-carbohydrazide
CID 7979324
N'-[1-(1-adamantyl)ethyl]-4-(trifluoromethyl)benzohydrazide
CID 164626898
N-(3-amino-2,2-dimethylcyclobutyl)-3-(trifluoromethyl)benzamide
CID 114632488
1-[[3-(trifluoromethyl)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 43329574
N'-(4-ethylbenzoyl)-3-(trifluoromethyl)benzohydrazide
CID 7925712
N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-3-(trifluoromethyl)benzamide
CID 7536993
3-[[3-(trifluoromethyl)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 66030146
N-(2-bromophenyl)-3-(trifluoromethyl)benzamide
CID 2561322
N-benzhydryl-3-(trifluoromethyl)benzamide
CID 3549490

Frequently Asked Questions

What is the IUPAC name of N'-(1-adamantyl)-3-(trifluoromethyl)benzohydrazide?
The IUPAC name of N'-(1-adamantyl)-3-(trifluoromethyl)benzohydrazide (CID 134093435) is N'-(1-adamantyl)-3-(trifluoromethyl)benzohydrazide.
What is the SMILES notation for N'-(1-adamantyl)-3-(trifluoromethyl)benzohydrazide?
The canonical SMILES for N'-(1-adamantyl)-3-(trifluoromethyl)benzohydrazide is O=C(NNC12CC3CC(CC(C3)C1)C2)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N'-(1-adamantyl)-3-(trifluoromethyl)benzohydrazide?
The InChIKey is RHPDTQGYVBIBGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N2O/c19-18(20,21)15-3-1-2-14(7-15)16(24)22-23-17-8-11-4-12(9-17)6-13(5-11)10-17/h1-3,7,11-13,23H,4-6,8-10H2,(H,22,24).
What are the key properties of N'-(1-adamantyl)-3-(trifluoromethyl)benzohydrazide?
N'-(1-adamantyl)-3-(trifluoromethyl)benzohydrazide has a molecular weight of 338.37 g/mol, XLogP of 3.91, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-adamantyl)-3-(trifluoromethyl)benzohydrazide is sourced from PubChem (CID 134093435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).