N-[3-(2-aminoethoxy)propyl]-3-(trifluoromethyl)benzamide

C13H17F3N2O2 — CID 106307969

IUPACN-[3-(2-aminoethoxy)propyl]-3-(trifluoromethyl)benzamide
SMILESNCCOCCCNC(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H17F3N2O2/c14-13(15,16)11-4-1-3-10(9-11)12(19)18-6-2-7-20-8-5-17/h1,3-4,9H,2,5-8,17H2,(H,18,19)
InChIKeyUAYOEBXSRWHDCA-UHFFFAOYSA-N
MW290.28 g/mol
LogP1.80
Rot. Bonds7

About N-[3-(2-aminoethoxy)propyl]-3-(trifluoromethyl)benzamide

N-[3-(2-aminoethoxy)propyl]-3-(trifluoromethyl)benzamide (PubChem CID 106307969) has the molecular formula C13H17F3N2O2 and a molecular weight of 290.28 g/mol. Its IUPAC name is N-[3-(2-aminoethoxy)propyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[3-(2-aminoethoxy)propyl]-3-(trifluoromethyl)benzamide
PubChem CID106307969
Molecular FormulaC13H17F3N2O2
Molecular Weight290.28 g/mol
Exact Mass290.12
IUPAC NameN-[3-(2-aminoethoxy)propyl]-3-(trifluoromethyl)benzamide
SMILESNCCOCCCNC(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H17F3N2O2/c14-13(15,16)11-4-1-3-10(9-11)12(19)18-6-2-7-20-8-5-17/h1,3-4,9H,2,5-8,17H2,(H,18,19)
InChIKeyUAYOEBXSRWHDCA-UHFFFAOYSA-N
XLogP1.80
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminoethyl)-3-(trifluoromethyl)benzamide;propan-1-amine
CID 142510750
N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide
CID 17217262
N-(4-aminopentyl)-3-(trifluoromethyl)benzamide
CID 106122605
N-[3-(cyclopropylamino)propyl]-3-(trifluoromethyl)benzamide
CID 43596552
N-[4-(4-fluorophenoxy)butyl]-3-(trifluoromethyl)benzamide
CID 55454553
N-(2-bromoethyl)-3-(trifluoromethyl)benzamide
CID 3500236
N-(5-bromo-4-methylpentyl)-3-(trifluoromethyl)benzamide
CID 106157920
N-(2-sulfamoylethyl)-3-(trifluoromethyl)benzamide
CID 61068183
N-[2-(2-aminoethoxy)ethyl]-3-hydroxybenzamide
CID 63754284
N-(3-amino-4-methoxybutyl)-3-(trifluoromethyl)benzamide
CID 106243205
N-(3-hydroxy-3-methylbutyl)-3-(trifluoromethyl)benzamide
CID 91445268
1-[3-(2-aminoethoxy)propyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 106308105

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-aminoethoxy)propyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[3-(2-aminoethoxy)propyl]-3-(trifluoromethyl)benzamide (CID 106307969) is N-[3-(2-aminoethoxy)propyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[3-(2-aminoethoxy)propyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[3-(2-aminoethoxy)propyl]-3-(trifluoromethyl)benzamide is NCCOCCCNC(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[3-(2-aminoethoxy)propyl]-3-(trifluoromethyl)benzamide?
The InChIKey is UAYOEBXSRWHDCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O2/c14-13(15,16)11-4-1-3-10(9-11)12(19)18-6-2-7-20-8-5-17/h1,3-4,9H,2,5-8,17H2,(H,18,19).
What are the key properties of N-[3-(2-aminoethoxy)propyl]-3-(trifluoromethyl)benzamide?
N-[3-(2-aminoethoxy)propyl]-3-(trifluoromethyl)benzamide has a molecular weight of 290.28 g/mol, XLogP of 1.80, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-aminoethoxy)propyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 106307969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).