N-[2-(2-aminophenoxy)ethyl]-2,3,4-trifluorobenzamide

C15H13F3N2O2 — CID 39447567

IUPACN-[2-(2-aminophenoxy)ethyl]-2,3,4-trifluorobenzamide
SMILESNc1ccccc1OCCNC(=O)c1ccc(F)c(F)c1F
InChIInChI=1S/C15H13F3N2O2/c16-10-6-5-9(13(17)14(10)18)15(21)20-7-8-22-12-4-2-1-3-11(12)19/h1-6H,7-8,19H2,(H,20,21)
InChIKeyMERMURAJKBIMGY-UHFFFAOYSA-N
MW310.28 g/mol
LogP2.49
Rot. Bonds5

About N-[2-(2-aminophenoxy)ethyl]-2,3,4-trifluorobenzamide

N-[2-(2-aminophenoxy)ethyl]-2,3,4-trifluorobenzamide (PubChem CID 39447567) has the molecular formula C15H13F3N2O2 and a molecular weight of 310.28 g/mol. Its IUPAC name is N-[2-(2-aminophenoxy)ethyl]-2,3,4-trifluorobenzamide.

Molecular Properties

Compound NameN-[2-(2-aminophenoxy)ethyl]-2,3,4-trifluorobenzamide
PubChem CID39447567
Molecular FormulaC15H13F3N2O2
Molecular Weight310.28 g/mol
Exact Mass310.09
IUPAC NameN-[2-(2-aminophenoxy)ethyl]-2,3,4-trifluorobenzamide
SMILESNc1ccccc1OCCNC(=O)c1ccc(F)c(F)c1F
InChIInChI=1S/C15H13F3N2O2/c16-10-6-5-9(13(17)14(10)18)15(21)20-7-8-22-12-4-2-1-3-11(12)19/h1-6H,7-8,19H2,(H,20,21)
InChIKeyMERMURAJKBIMGY-UHFFFAOYSA-N
XLogP2.49
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.28
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2,3,4-trifluoro-N-(2-quinolin-8-yloxyethyl)benzamide
CID 113102253
N-[2-(2-aminophenoxy)ethyl]-4-fluoro-3-methylbenzamide
CID 63209631
2-(2-aminophenoxy)ethylcarbamic acid
CID 70087941
N-[2-(2-aminophenoxy)ethyl]-2-bromo-5-methylbenzamide
CID 81110880
N-[2-(2-aminophenoxy)ethyl]-2-chloro-5-hydroxybenzamide
CID 106500099
2,3,4-trifluoro-N-[2-(2,4,6-trimethylphenoxy)ethyl]benzamide
CID 113101359
N-[2-(2-aminophenoxy)ethyl]-2-hydroxy-5-methylbenzamide
CID 61031629
N-[3-(2-bromoethoxy)propyl]-2,3,4-trifluorobenzamide
CID 114171422
2-fluoro-N-[2-(2-methoxyphenoxy)ethyl]benzamide
CID 26555567
N-[3-(2-chloroethoxy)propyl]-2,3,4-trifluorobenzamide
CID 114171307
N-[2-(2-aminophenoxy)ethyl]-3,5-dihydroxybenzamide
CID 107702196
N-(4-chlorobutyl)-2,3,4-trifluorobenzamide
CID 106845363

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminophenoxy)ethyl]-2,3,4-trifluorobenzamide?
The IUPAC name of N-[2-(2-aminophenoxy)ethyl]-2,3,4-trifluorobenzamide (CID 39447567) is N-[2-(2-aminophenoxy)ethyl]-2,3,4-trifluorobenzamide.
What is the SMILES notation for N-[2-(2-aminophenoxy)ethyl]-2,3,4-trifluorobenzamide?
The canonical SMILES for N-[2-(2-aminophenoxy)ethyl]-2,3,4-trifluorobenzamide is Nc1ccccc1OCCNC(=O)c1ccc(F)c(F)c1F.
What is the InChIKey of N-[2-(2-aminophenoxy)ethyl]-2,3,4-trifluorobenzamide?
The InChIKey is MERMURAJKBIMGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O2/c16-10-6-5-9(13(17)14(10)18)15(21)20-7-8-22-12-4-2-1-3-11(12)19/h1-6H,7-8,19H2,(H,20,21).
What are the key properties of N-[2-(2-aminophenoxy)ethyl]-2,3,4-trifluorobenzamide?
N-[2-(2-aminophenoxy)ethyl]-2,3,4-trifluorobenzamide has a molecular weight of 310.28 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminophenoxy)ethyl]-2,3,4-trifluorobenzamide is sourced from PubChem (CID 39447567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).