2-(hydrazinecarbonyl)-3-(trifluoromethyl)benzamide

C9H8F3N3O2 — CID 70608847

IUPAC2-(hydrazinecarbonyl)-3-(trifluoromethyl)benzamide
SMILESNNC(=O)c1c(C(N)=O)cccc1C(F)(F)F
InChIInChI=1S/C9H8F3N3O2/c10-9(11,12)5-3-1-2-4(7(13)16)6(5)8(17)15-14/h1-3H,14H2,(H2,13,16)(H,15,17)
InChIKeyFLYJCGUYALIBOH-UHFFFAOYSA-N
MW247.18 g/mol
LogP0.41
Rot. Bonds2

About 2-(hydrazinecarbonyl)-3-(trifluoromethyl)benzamide

2-(hydrazinecarbonyl)-3-(trifluoromethyl)benzamide (PubChem CID 70608847) has the molecular formula C9H8F3N3O2 and a molecular weight of 247.18 g/mol. Its IUPAC name is 2-(hydrazinecarbonyl)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-(hydrazinecarbonyl)-3-(trifluoromethyl)benzamide
PubChem CID70608847
Molecular FormulaC9H8F3N3O2
Molecular Weight247.18 g/mol
Exact Mass247.06
IUPAC Name2-(hydrazinecarbonyl)-3-(trifluoromethyl)benzamide
SMILESNNC(=O)c1c(C(N)=O)cccc1C(F)(F)F
InChIInChI=1S/C9H8F3N3O2/c10-9(11,12)5-3-1-2-4(7(13)16)6(5)8(17)15-14/h1-3H,14H2,(H2,13,16)(H,15,17)
InChIKeyFLYJCGUYALIBOH-UHFFFAOYSA-N
XLogP0.41
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.18
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-3-(trifluoromethyl)benzamide;hydrochloride
CID 141021225
2-chloro-3-(trifluoromethyl)benzamide
CID 3861109
2-(methylaminomethyl)-3-(trifluoromethyl)benzamide
CID 144717479
chloro hypochlorite;copper;2-(trifluoromethyl)benzamide
CID 159662780
N-(3-amino-3-sulfanylidenepropyl)-2-(trifluoromethyl)benzamide
CID 62665548
N-[2-(carbamoylamino)ethyl]-2-fluoro-3-(trifluoromethyl)benzamide
CID 79885734
2-amino-1-[2-amino-3-(trifluoromethyl)phenyl]ethanone
CID 105471934
2-[2-methyl-3-(trifluoromethyl)phenyl]benzamide
CID 69461429
[2-carbamoyl-6-(trifluoromethyl)phenyl] 2,2,2-trifluoroacetate
CID 142933924
1-[2-amino-3-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanone
CID 98461840
2-(3-hydroxypropyl)-6-(trifluoromethyl)benzamide
CID 173040109
2,6-bis(trifluoromethyl)benzoate
CID 6927052

Frequently Asked Questions

What is the IUPAC name of 2-(hydrazinecarbonyl)-3-(trifluoromethyl)benzamide?
The IUPAC name of 2-(hydrazinecarbonyl)-3-(trifluoromethyl)benzamide (CID 70608847) is 2-(hydrazinecarbonyl)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-(hydrazinecarbonyl)-3-(trifluoromethyl)benzamide?
The canonical SMILES for 2-(hydrazinecarbonyl)-3-(trifluoromethyl)benzamide is NNC(=O)c1c(C(N)=O)cccc1C(F)(F)F.
What is the InChIKey of 2-(hydrazinecarbonyl)-3-(trifluoromethyl)benzamide?
The InChIKey is FLYJCGUYALIBOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N3O2/c10-9(11,12)5-3-1-2-4(7(13)16)6(5)8(17)15-14/h1-3H,14H2,(H2,13,16)(H,15,17).
What are the key properties of 2-(hydrazinecarbonyl)-3-(trifluoromethyl)benzamide?
2-(hydrazinecarbonyl)-3-(trifluoromethyl)benzamide has a molecular weight of 247.18 g/mol, XLogP of 0.41, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydrazinecarbonyl)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 70608847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).