N'-benzyl-N'-phenyl-2-(trifluoromethyl)benzohydrazide

C21H17F3N2O — CID 55342142

IUPACN'-benzyl-N'-phenyl-2-(trifluoromethyl)benzohydrazide
SMILESO=C(NN(Cc1ccccc1)c1ccccc1)c1ccccc1C(F)(F)F
InChIInChI=1S/C21H17F3N2O/c22-21(23,24)19-14-8-7-13-18(19)20(27)25-26(17-11-5-2-6-12-17)15-16-9-3-1-4-10-16/h1-14H,15H2,(H,25,27)
InChIKeyHCWAEAFDUQODHW-UHFFFAOYSA-N
MW370.37 g/mol
LogP5.06
Rot. Bonds5

About N'-benzyl-N'-phenyl-2-(trifluoromethyl)benzohydrazide

N'-benzyl-N'-phenyl-2-(trifluoromethyl)benzohydrazide (PubChem CID 55342142) has the molecular formula C21H17F3N2O and a molecular weight of 370.37 g/mol. Its IUPAC name is N'-benzyl-N'-phenyl-2-(trifluoromethyl)benzohydrazide.

Molecular Properties

Compound NameN'-benzyl-N'-phenyl-2-(trifluoromethyl)benzohydrazide
PubChem CID55342142
Molecular FormulaC21H17F3N2O
Molecular Weight370.37 g/mol
Exact Mass370.13
IUPAC NameN'-benzyl-N'-phenyl-2-(trifluoromethyl)benzohydrazide
SMILESO=C(NN(Cc1ccccc1)c1ccccc1)c1ccccc1C(F)(F)F
InChIInChI=1S/C21H17F3N2O/c22-21(23,24)19-14-8-7-13-18(19)20(27)25-26(17-11-5-2-6-12-17)15-16-9-3-1-4-10-16/h1-14H,15H2,(H,25,27)
InChIKeyHCWAEAFDUQODHW-UHFFFAOYSA-N
XLogP5.06
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.37
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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2-[2-[(N-benzylanilino)carbamoyl]phenyl]sulfanyl-N,N-dimethylacetamide
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N-methyl-2-(trifluoromethyl)benzamide
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N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-(trifluoromethyl)benzamide
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N'-benzyl-3-methyl-N'-phenylthiophene-2-carbohydrazide
CID 39477042
N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-2-(trifluoromethyl)benzamide
CID 52766251
N'-benzyl-3-chloro-4-hydroxy-N'-phenylbenzohydrazide
CID 75479031
phenyl-[2-(trifluoromethyl)phenyl]carbamic acid
CID 66619011
N-[5-[(N-benzylanilino)carbamoyl]-2-fluorophenyl]acetamide
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CID 64997392

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N'-phenyl-2-(trifluoromethyl)benzohydrazide?
The IUPAC name of N'-benzyl-N'-phenyl-2-(trifluoromethyl)benzohydrazide (CID 55342142) is N'-benzyl-N'-phenyl-2-(trifluoromethyl)benzohydrazide.
What is the SMILES notation for N'-benzyl-N'-phenyl-2-(trifluoromethyl)benzohydrazide?
The canonical SMILES for N'-benzyl-N'-phenyl-2-(trifluoromethyl)benzohydrazide is O=C(NN(Cc1ccccc1)c1ccccc1)c1ccccc1C(F)(F)F.
What is the InChIKey of N'-benzyl-N'-phenyl-2-(trifluoromethyl)benzohydrazide?
The InChIKey is HCWAEAFDUQODHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N2O/c22-21(23,24)19-14-8-7-13-18(19)20(27)25-26(17-11-5-2-6-12-17)15-16-9-3-1-4-10-16/h1-14H,15H2,(H,25,27).
What are the key properties of N'-benzyl-N'-phenyl-2-(trifluoromethyl)benzohydrazide?
N'-benzyl-N'-phenyl-2-(trifluoromethyl)benzohydrazide has a molecular weight of 370.37 g/mol, XLogP of 5.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N'-phenyl-2-(trifluoromethyl)benzohydrazide is sourced from PubChem (CID 55342142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).