N-(hydrazinylcarbamoyl)-N-(trifluoromethyl)benzamide

C9H9F3N4O2 — CID 151979158

IUPACN-(hydrazinylcarbamoyl)-N-(trifluoromethyl)benzamide
SMILESNNNC(=O)N(C(=O)c1ccccc1)C(F)(F)F
InChIInChI=1S/C9H9F3N4O2/c10-9(11,12)16(8(18)14-15-13)7(17)6-4-2-1-3-5-6/h1-5,15H,13H2,(H,14,18)
InChIKeyUCHOWLYPGUBTIK-UHFFFAOYSA-N
MW262.19 g/mol
LogP0.74
Rot. Bonds2

About N-(hydrazinylcarbamoyl)-N-(trifluoromethyl)benzamide

N-(hydrazinylcarbamoyl)-N-(trifluoromethyl)benzamide (PubChem CID 151979158) has the molecular formula C9H9F3N4O2 and a molecular weight of 262.19 g/mol. Its IUPAC name is N-(hydrazinylcarbamoyl)-N-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(hydrazinylcarbamoyl)-N-(trifluoromethyl)benzamide
PubChem CID151979158
Molecular FormulaC9H9F3N4O2
Molecular Weight262.19 g/mol
Exact Mass262.07
IUPAC NameN-(hydrazinylcarbamoyl)-N-(trifluoromethyl)benzamide
SMILESNNNC(=O)N(C(=O)c1ccccc1)C(F)(F)F
InChIInChI=1S/C9H9F3N4O2/c10-9(11,12)16(8(18)14-15-13)7(17)6-4-2-1-3-5-6/h1-5,15H,13H2,(H,14,18)
InChIKeyUCHOWLYPGUBTIK-UHFFFAOYSA-N
XLogP0.74
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.19
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N'-dimethyl-N'-(trifluoromethyl)benzohydrazide
CID 174890331
N-phenyl-N-(trifluoromethylcarbamoyl)benzamide
CID 70182203
N-methylsulfinyl-N-(trifluoromethyl)benzamide
CID 154019100
Lithium benzoate, 99%
CID 57451198
N,N-dimethoxybenzamide;2,2,2-trifluoroacetic acid
CID 161381447
ethane;methane;1,1,1-trifluoroethane;tribenzoate
CID 157495316
N-(1,1,2,2-tetrafluoroethoxy)benzohydrazide
CID 175226791
(E)-4,4,4-trifluoro-3-hydrazinyl-1-phenylbut-2-en-1-one
CID 177436392
N-benzoyl-N-[4-(dibenzoylamino)phenyl]benzamide
CID 171577154
2,2-difluoro-1,3-diphenylpropane-1,3-dione
CID 3317886
europium;tetrakis(4,4,4-trifluoro-1-phenylbutane-1,3-dione)
CID 159123856
benzoic acid;methanamine
CID 158244769

Frequently Asked Questions

What is the IUPAC name of N-(hydrazinylcarbamoyl)-N-(trifluoromethyl)benzamide?
The IUPAC name of N-(hydrazinylcarbamoyl)-N-(trifluoromethyl)benzamide (CID 151979158) is N-(hydrazinylcarbamoyl)-N-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(hydrazinylcarbamoyl)-N-(trifluoromethyl)benzamide?
The canonical SMILES for N-(hydrazinylcarbamoyl)-N-(trifluoromethyl)benzamide is NNNC(=O)N(C(=O)c1ccccc1)C(F)(F)F.
What is the InChIKey of N-(hydrazinylcarbamoyl)-N-(trifluoromethyl)benzamide?
The InChIKey is UCHOWLYPGUBTIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N4O2/c10-9(11,12)16(8(18)14-15-13)7(17)6-4-2-1-3-5-6/h1-5,15H,13H2,(H,14,18).
What are the key properties of N-(hydrazinylcarbamoyl)-N-(trifluoromethyl)benzamide?
N-(hydrazinylcarbamoyl)-N-(trifluoromethyl)benzamide has a molecular weight of 262.19 g/mol, XLogP of 0.74, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(hydrazinylcarbamoyl)-N-(trifluoromethyl)benzamide is sourced from PubChem (CID 151979158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).