N'-[4-(trifluoromethyl)benzoyl]adamantane-1-carbohydrazide

C19H21F3N2O2 — CID 7978693

IUPACN'-[4-(trifluoromethyl)benzoyl]adamantane-1-carbohydrazide
SMILESO=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H21F3N2O2/c20-19(21,22)15-3-1-14(2-4-15)16(25)23-24-17(26)18-8-11-5-12(9-18)7-13(6-11)10-18/h1-4,11-13H,5-10H2,(H,23,25)(H,24,26)
InChIKeyPHXAPFLCZNRMNH-UHFFFAOYSA-N
MW366.38 g/mol
LogP3.68
Rot. Bonds2

About N'-[4-(trifluoromethyl)benzoyl]adamantane-1-carbohydrazide

N'-[4-(trifluoromethyl)benzoyl]adamantane-1-carbohydrazide (PubChem CID 7978693) has the molecular formula C19H21F3N2O2 and a molecular weight of 366.38 g/mol. Its IUPAC name is N'-[4-(trifluoromethyl)benzoyl]adamantane-1-carbohydrazide.

Molecular Properties

Compound NameN'-[4-(trifluoromethyl)benzoyl]adamantane-1-carbohydrazide
PubChem CID7978693
Molecular FormulaC19H21F3N2O2
Molecular Weight366.38 g/mol
Exact Mass366.16
IUPAC NameN'-[4-(trifluoromethyl)benzoyl]adamantane-1-carbohydrazide
SMILESO=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H21F3N2O2/c20-19(21,22)15-3-1-14(2-4-15)16(25)23-24-17(26)18-8-11-5-12(9-18)7-13(6-11)10-18/h1-4,11-13H,5-10H2,(H,23,25)(H,24,26)
InChIKeyPHXAPFLCZNRMNH-UHFFFAOYSA-N
XLogP3.68
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 53.68
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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Frequently Asked Questions

What is the IUPAC name of N'-[4-(trifluoromethyl)benzoyl]adamantane-1-carbohydrazide?
The IUPAC name of N'-[4-(trifluoromethyl)benzoyl]adamantane-1-carbohydrazide (CID 7978693) is N'-[4-(trifluoromethyl)benzoyl]adamantane-1-carbohydrazide.
What is the SMILES notation for N'-[4-(trifluoromethyl)benzoyl]adamantane-1-carbohydrazide?
The canonical SMILES for N'-[4-(trifluoromethyl)benzoyl]adamantane-1-carbohydrazide is O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N'-[4-(trifluoromethyl)benzoyl]adamantane-1-carbohydrazide?
The InChIKey is PHXAPFLCZNRMNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2O2/c20-19(21,22)15-3-1-14(2-4-15)16(25)23-24-17(26)18-8-11-5-12(9-18)7-13(6-11)10-18/h1-4,11-13H,5-10H2,(H,23,25)(H,24,26).
What are the key properties of N'-[4-(trifluoromethyl)benzoyl]adamantane-1-carbohydrazide?
N'-[4-(trifluoromethyl)benzoyl]adamantane-1-carbohydrazide has a molecular weight of 366.38 g/mol, XLogP of 3.68, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(trifluoromethyl)benzoyl]adamantane-1-carbohydrazide is sourced from PubChem (CID 7978693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).