N',N'-diphenyl-2-(trifluoromethyl)benzohydrazide

C20H15F3N2O — CID 51537446

IUPACN',N'-diphenyl-2-(trifluoromethyl)benzohydrazide
SMILESO=C(NN(c1ccccc1)c1ccccc1)c1ccccc1C(F)(F)F
InChIInChI=1S/C20H15F3N2O/c21-20(22,23)18-14-8-7-13-17(18)19(26)24-25(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14H,(H,24,26)
InChIKeyAFTWJKFMXULUDT-UHFFFAOYSA-N
MW356.35 g/mol
LogP5.19
Rot. Bonds4

About N',N'-diphenyl-2-(trifluoromethyl)benzohydrazide

N',N'-diphenyl-2-(trifluoromethyl)benzohydrazide (PubChem CID 51537446) has the molecular formula C20H15F3N2O and a molecular weight of 356.35 g/mol. Its IUPAC name is N',N'-diphenyl-2-(trifluoromethyl)benzohydrazide.

Molecular Properties

Compound NameN',N'-diphenyl-2-(trifluoromethyl)benzohydrazide
PubChem CID51537446
Molecular FormulaC20H15F3N2O
Molecular Weight356.35 g/mol
Exact Mass356.11
IUPAC NameN',N'-diphenyl-2-(trifluoromethyl)benzohydrazide
SMILESO=C(NN(c1ccccc1)c1ccccc1)c1ccccc1C(F)(F)F
InChIInChI=1S/C20H15F3N2O/c21-20(22,23)18-14-8-7-13-17(18)19(26)24-25(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14H,(H,24,26)
InChIKeyAFTWJKFMXULUDT-UHFFFAOYSA-N
XLogP5.19
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.35
LogP ≤ 55.19
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

N'-benzyl-N'-phenyl-2-(trifluoromethyl)benzohydrazide
CID 55342142
N-methyl-2-(trifluoromethyl)benzamide
CID 4216112
[4-[[2-(trifluoromethyl)benzoyl]amino]phenyl]carbamic acid
CID 18543447
N-(4-aminobutyl)-2-(trifluoromethyl)benzamide
CID 60894679
(2R)-3-methyl-2-[[2-(trifluoromethyl)benzoyl]amino]butanoic acid
CID 30048340
N-(2-methylcyclobuten-1-yl)-2-(trifluoromethyl)benzamide
CID 123675503
N-(2-oxopropyl)-2-(trifluoromethyl)benzamide
CID 64997392
N-(4-hydroxyphenyl)-2-(trifluoromethyl)benzamide
CID 28739363
2-[2-(trifluoromethyl)phenyl]prop-2-enoic acid
CID 117266986
methyl 2-(trifluoromethyl)benzoate
CID 2775578
N-[(1R)-2-hydroxy-1-phenylethyl]-2-(trifluoromethyl)benzamide
CID 40548744
3-hydroxy-2-[[2-(trifluoromethyl)benzoyl]amino]butanoic acid
CID 16776421

Frequently Asked Questions

What is the IUPAC name of N',N'-diphenyl-2-(trifluoromethyl)benzohydrazide?
The IUPAC name of N',N'-diphenyl-2-(trifluoromethyl)benzohydrazide (CID 51537446) is N',N'-diphenyl-2-(trifluoromethyl)benzohydrazide.
What is the SMILES notation for N',N'-diphenyl-2-(trifluoromethyl)benzohydrazide?
The canonical SMILES for N',N'-diphenyl-2-(trifluoromethyl)benzohydrazide is O=C(NN(c1ccccc1)c1ccccc1)c1ccccc1C(F)(F)F.
What is the InChIKey of N',N'-diphenyl-2-(trifluoromethyl)benzohydrazide?
The InChIKey is AFTWJKFMXULUDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N2O/c21-20(22,23)18-14-8-7-13-17(18)19(26)24-25(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14H,(H,24,26).
What are the key properties of N',N'-diphenyl-2-(trifluoromethyl)benzohydrazide?
N',N'-diphenyl-2-(trifluoromethyl)benzohydrazide has a molecular weight of 356.35 g/mol, XLogP of 5.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diphenyl-2-(trifluoromethyl)benzohydrazide is sourced from PubChem (CID 51537446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).