N-(2-ethoxyethyl)-2-hydrazinyl-N-methyl-5-(trifluoromethyl)benzamide

C13H18F3N3O2 — CID 81063071

IUPACN-(2-ethoxyethyl)-2-hydrazinyl-N-methyl-5-(trifluoromethyl)benzamide
SMILESCCOCCN(C)C(=O)c1cc(C(F)(F)F)ccc1NN
InChIInChI=1S/C13H18F3N3O2/c1-3-21-7-6-19(2)12(20)10-8-9(13(14,15)16)4-5-11(10)18-17/h4-5,8,18H,3,6-7,17H2,1-2H3
InChIKeyBXOKXZDSGIYKJD-UHFFFAOYSA-N
MW305.30 g/mol
LogP2.10
Rot. Bonds6

About N-(2-ethoxyethyl)-2-hydrazinyl-N-methyl-5-(trifluoromethyl)benzamide

N-(2-ethoxyethyl)-2-hydrazinyl-N-methyl-5-(trifluoromethyl)benzamide (PubChem CID 81063071) has the molecular formula C13H18F3N3O2 and a molecular weight of 305.30 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-2-hydrazinyl-N-methyl-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-2-hydrazinyl-N-methyl-5-(trifluoromethyl)benzamide
PubChem CID81063071
Molecular FormulaC13H18F3N3O2
Molecular Weight305.30 g/mol
Exact Mass305.14
IUPAC NameN-(2-ethoxyethyl)-2-hydrazinyl-N-methyl-5-(trifluoromethyl)benzamide
SMILESCCOCCN(C)C(=O)c1cc(C(F)(F)F)ccc1NN
InChIInChI=1S/C13H18F3N3O2/c1-3-21-7-6-19(2)12(20)10-8-9(13(14,15)16)4-5-11(10)18-17/h4-5,8,18H,3,6-7,17H2,1-2H3
InChIKeyBXOKXZDSGIYKJD-UHFFFAOYSA-N
XLogP2.10
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)-2-hydrazinyl-N-methyl-5-(trifluoromethyl)benzamide?
The IUPAC name of N-(2-ethoxyethyl)-2-hydrazinyl-N-methyl-5-(trifluoromethyl)benzamide (CID 81063071) is N-(2-ethoxyethyl)-2-hydrazinyl-N-methyl-5-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(2-ethoxyethyl)-2-hydrazinyl-N-methyl-5-(trifluoromethyl)benzamide?
The canonical SMILES for N-(2-ethoxyethyl)-2-hydrazinyl-N-methyl-5-(trifluoromethyl)benzamide is CCOCCN(C)C(=O)c1cc(C(F)(F)F)ccc1NN.
What is the InChIKey of N-(2-ethoxyethyl)-2-hydrazinyl-N-methyl-5-(trifluoromethyl)benzamide?
The InChIKey is BXOKXZDSGIYKJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O2/c1-3-21-7-6-19(2)12(20)10-8-9(13(14,15)16)4-5-11(10)18-17/h4-5,8,18H,3,6-7,17H2,1-2H3.
What are the key properties of N-(2-ethoxyethyl)-2-hydrazinyl-N-methyl-5-(trifluoromethyl)benzamide?
N-(2-ethoxyethyl)-2-hydrazinyl-N-methyl-5-(trifluoromethyl)benzamide has a molecular weight of 305.30 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-2-hydrazinyl-N-methyl-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 81063071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).