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

C13H18F3N3O — CID 62511147

IUPAC2-hydrazinyl-5-methyl-N-propyl-N-(2,2,2-trifluoroethyl)benzamide
SMILESCCCN(CC(F)(F)F)C(=O)c1cc(C)ccc1NN
InChIInChI=1S/C13H18F3N3O/c1-3-6-19(8-13(14,15)16)12(20)10-7-9(2)4-5-11(10)18-17/h4-5,7,18H,3,6,8,17H2,1-2H3
InChIKeyFDHJPZDGBIHKGG-UHFFFAOYSA-N
MW289.30 g/mol
LogP2.70
Rot. Bonds5

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

2-hydrazinyl-5-methyl-N-propyl-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 62511147) has the molecular formula C13H18F3N3O and a molecular weight of 289.30 g/mol. Its IUPAC name is 2-hydrazinyl-5-methyl-N-propyl-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name2-hydrazinyl-5-methyl-N-propyl-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID62511147
Molecular FormulaC13H18F3N3O
Molecular Weight289.30 g/mol
Exact Mass289.14
IUPAC Name2-hydrazinyl-5-methyl-N-propyl-N-(2,2,2-trifluoroethyl)benzamide
SMILESCCCN(CC(F)(F)F)C(=O)c1cc(C)ccc1NN
InChIInChI=1S/C13H18F3N3O/c1-3-6-19(8-13(14,15)16)12(20)10-7-9(2)4-5-11(10)18-17/h4-5,7,18H,3,6,8,17H2,1-2H3
InChIKeyFDHJPZDGBIHKGG-UHFFFAOYSA-N
XLogP2.70
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 52.70
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

2-fluoro-4-methyl-N-propyl-N-(2,2,2-trifluoroethyl)benzamide
CID 79786127
N-(cyclopropylmethyl)-2-hydrazinyl-5-methyl-N-propylbenzamide
CID 62511311
5-methyl-2-(methylamino)-N,N-dipropylbenzamide
CID 55082842
N-(2-aminoethyl)-2-fluoro-5-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 107493456
N-butyl-2-hydrazinyl-N,5-dimethylbenzamide
CID 62510784
2-hydrazinyl-5-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 62509922
2-(ethylamino)-N-(2-hydroxyethyl)-5-methyl-N-propylbenzamide
CID 62510294
N-(3-amino-2,2-dimethylpropyl)-2-fluoro-5-methyl-N-propylbenzamide
CID 79667349
4-(ethylamino)-3-methyl-N-propyl-N-(2,2,2-trifluoroethyl)benzamide
CID 63214137
2-hydrazinyl-N-(2-hydroxy-2-methylpropyl)-N,5-dimethylbenzamide
CID 79385433
2-amino-5-methyl-N,N-dipropylbenzamide
CID 62073624
2-bromo-N-(2-chloroethyl)-5-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 107492061

Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-5-methyl-N-propyl-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 2-hydrazinyl-5-methyl-N-propyl-N-(2,2,2-trifluoroethyl)benzamide (CID 62511147) is 2-hydrazinyl-5-methyl-N-propyl-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 2-hydrazinyl-5-methyl-N-propyl-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 2-hydrazinyl-5-methyl-N-propyl-N-(2,2,2-trifluoroethyl)benzamide is CCCN(CC(F)(F)F)C(=O)c1cc(C)ccc1NN.
What is the InChIKey of 2-hydrazinyl-5-methyl-N-propyl-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is FDHJPZDGBIHKGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O/c1-3-6-19(8-13(14,15)16)12(20)10-7-9(2)4-5-11(10)18-17/h4-5,7,18H,3,6,8,17H2,1-2H3.
What are the key properties of 2-hydrazinyl-5-methyl-N-propyl-N-(2,2,2-trifluoroethyl)benzamide?
2-hydrazinyl-5-methyl-N-propyl-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 289.30 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-5-methyl-N-propyl-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 62511147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).