2-hydrazinyl-5-methyl-N-(2,2,2-trifluoroethyl)benzamide

C10H12F3N3O — CID 62509922

IUPAC2-hydrazinyl-5-methyl-N-(2,2,2-trifluoroethyl)benzamide
SMILESCc1ccc(NN)c(C(=O)NCC(F)(F)F)c1
InChIInChI=1S/C10H12F3N3O/c1-6-2-3-8(16-14)7(4-6)9(17)15-5-10(11,12)13/h2-4,16H,5,14H2,1H3,(H,15,17)
InChIKeyTVLRVRZOYPLLDP-UHFFFAOYSA-N
MW247.22 g/mol
LogP1.57
Rot. Bonds3

About 2-hydrazinyl-5-methyl-N-(2,2,2-trifluoroethyl)benzamide

2-hydrazinyl-5-methyl-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 62509922) has the molecular formula C10H12F3N3O and a molecular weight of 247.22 g/mol. Its IUPAC name is 2-hydrazinyl-5-methyl-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name2-hydrazinyl-5-methyl-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID62509922
Molecular FormulaC10H12F3N3O
Molecular Weight247.22 g/mol
Exact Mass247.09
IUPAC Name2-hydrazinyl-5-methyl-N-(2,2,2-trifluoroethyl)benzamide
SMILESCc1ccc(NN)c(C(=O)NCC(F)(F)F)c1
InChIInChI=1S/C10H12F3N3O/c1-6-2-3-8(16-14)7(4-6)9(17)15-5-10(11,12)13/h2-4,16H,5,14H2,1H3,(H,15,17)
InChIKeyTVLRVRZOYPLLDP-UHFFFAOYSA-N
XLogP1.57
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-5-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 62510396
2,4-dimethyl-N-(2,2,2-trifluoroethyl)benzamide
CID 78785997
N-(2,3-dimethylbutyl)-2-hydrazinyl-5-methylbenzamide
CID 64581176
N-(2-cyclopentylethyl)-2-hydrazinyl-5-methylbenzamide
CID 62509764
5-methyl-2-(methylamino)-N-(2,2,3,3-tetrafluoropropyl)benzamide
CID 106295577
2-hydrazinyl-5-methyl-N-propyl-N-(2,2,2-trifluoroethyl)benzamide
CID 62511147
1-(2-amino-4-methylphenyl)-3-(2,2,2-trifluoroethyl)urea
CID 113462931
2-hydrazinyl-5-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 62523072
2-hydrazinyl-N-[(4-methoxyphenyl)methyl]-5-methylbenzamide
CID 62510796
N-[2-(ethylsulfamoyl)ethyl]-2-hydrazinyl-5-methylbenzamide
CID 106340904
3-hydrazinyl-2-nitro-N-(2,2,2-trifluoroethyl)benzamide
CID 113333584
ethane;4-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 145192130

Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-5-methyl-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 2-hydrazinyl-5-methyl-N-(2,2,2-trifluoroethyl)benzamide (CID 62509922) is 2-hydrazinyl-5-methyl-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 2-hydrazinyl-5-methyl-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 2-hydrazinyl-5-methyl-N-(2,2,2-trifluoroethyl)benzamide is Cc1ccc(NN)c(C(=O)NCC(F)(F)F)c1.
What is the InChIKey of 2-hydrazinyl-5-methyl-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is TVLRVRZOYPLLDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O/c1-6-2-3-8(16-14)7(4-6)9(17)15-5-10(11,12)13/h2-4,16H,5,14H2,1H3,(H,15,17).
What are the key properties of 2-hydrazinyl-5-methyl-N-(2,2,2-trifluoroethyl)benzamide?
2-hydrazinyl-5-methyl-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 247.22 g/mol, XLogP of 1.57, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-5-methyl-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 62509922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).