N-ethyl-4-hydrazinyl-N-methyl-3-(trifluoromethyl)benzamide

C11H14F3N3O — CID 62241169

IUPACN-ethyl-4-hydrazinyl-N-methyl-3-(trifluoromethyl)benzamide
SMILESCCN(C)C(=O)c1ccc(NN)c(C(F)(F)F)c1
InChIInChI=1S/C11H14F3N3O/c1-3-17(2)10(18)7-4-5-9(16-15)8(6-7)11(12,13)14/h4-6,16H,3,15H2,1-2H3
InChIKeyANDFOCLEMQGBIM-UHFFFAOYSA-N
MW261.25 g/mol
LogP2.08
Rot. Bonds3

About N-ethyl-4-hydrazinyl-N-methyl-3-(trifluoromethyl)benzamide

N-ethyl-4-hydrazinyl-N-methyl-3-(trifluoromethyl)benzamide (PubChem CID 62241169) has the molecular formula C11H14F3N3O and a molecular weight of 261.25 g/mol. Its IUPAC name is N-ethyl-4-hydrazinyl-N-methyl-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-ethyl-4-hydrazinyl-N-methyl-3-(trifluoromethyl)benzamide
PubChem CID62241169
Molecular FormulaC11H14F3N3O
Molecular Weight261.25 g/mol
Exact Mass261.11
IUPAC NameN-ethyl-4-hydrazinyl-N-methyl-3-(trifluoromethyl)benzamide
SMILESCCN(C)C(=O)c1ccc(NN)c(C(F)(F)F)c1
InChIInChI=1S/C11H14F3N3O/c1-3-17(2)10(18)7-4-5-9(16-15)8(6-7)11(12,13)14/h4-6,16H,3,15H2,1-2H3
InChIKeyANDFOCLEMQGBIM-UHFFFAOYSA-N
XLogP2.08
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 52.08
H-Bond Donors ≤ 52
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

N-[2-(dimethylamino)ethyl]-4-hydrazinyl-N-methyl-3-(trifluoromethyl)benzamide
CID 63726381
N-cyclopropyl-N-ethyl-4-hydrazinyl-3-(trifluoromethyl)benzamide
CID 62242272
N-butan-2-yl-N-ethyl-4-hydrazinyl-3-(trifluoromethyl)benzamide
CID 62241359
N-[2-(dimethylamino)propyl]-4-hydrazinyl-3-(trifluoromethyl)benzamide
CID 62247665
4-hydrazinyl-N-(1-methoxypropan-2-yl)-N-methyl-3-(trifluoromethyl)benzamide
CID 62236816
4-hydrazinyl-N-pentyl-3-(trifluoromethyl)benzamide
CID 62234841
N-methyl-4-(methylamino)-N-(2-methylbutyl)-3-(trifluoromethyl)benzamide
CID 62168801
3-[4-chloro-2-(trifluoromethyl)phenyl]-1-ethyl-1-methylurea
CID 113229852
N-cyclopropyl-4-(ethylamino)-N-methyl-3-(trifluoromethyl)benzamide
CID 62167915
N-methyl-4-(methylamino)-N-(2-methylbutan-2-yl)-3-(trifluoromethyl)benzamide
CID 63961442
4-hydrazinyl-N-(4-methylpentan-2-yl)-3-(trifluoromethyl)benzamide
CID 62241747
4-amino-N-methyl-N-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)benzamide
CID 62161986

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-hydrazinyl-N-methyl-3-(trifluoromethyl)benzamide?
The IUPAC name of N-ethyl-4-hydrazinyl-N-methyl-3-(trifluoromethyl)benzamide (CID 62241169) is N-ethyl-4-hydrazinyl-N-methyl-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-ethyl-4-hydrazinyl-N-methyl-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-ethyl-4-hydrazinyl-N-methyl-3-(trifluoromethyl)benzamide is CCN(C)C(=O)c1ccc(NN)c(C(F)(F)F)c1.
What is the InChIKey of N-ethyl-4-hydrazinyl-N-methyl-3-(trifluoromethyl)benzamide?
The InChIKey is ANDFOCLEMQGBIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O/c1-3-17(2)10(18)7-4-5-9(16-15)8(6-7)11(12,13)14/h4-6,16H,3,15H2,1-2H3.
What are the key properties of N-ethyl-4-hydrazinyl-N-methyl-3-(trifluoromethyl)benzamide?
N-ethyl-4-hydrazinyl-N-methyl-3-(trifluoromethyl)benzamide has a molecular weight of 261.25 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-hydrazinyl-N-methyl-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 62241169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).