2-amino-N-[2-(2,3,4-trifluorophenyl)ethyl]acetamide

C10H11F3N2O — CID 110477577

IUPAC2-amino-N-[2-(2,3,4-trifluorophenyl)ethyl]acetamide
SMILESNCC(=O)NCCc1ccc(F)c(F)c1F
InChIInChI=1S/C10H11F3N2O/c11-7-2-1-6(9(12)10(7)13)3-4-15-8(16)5-14/h1-2H,3-5,14H2,(H,15,16)
InChIKeyLEGVUNASIZMLPP-UHFFFAOYSA-N
MW232.20 g/mol
LogP0.72
Rot. Bonds4

About 2-amino-N-[2-(2,3,4-trifluorophenyl)ethyl]acetamide

2-amino-N-[2-(2,3,4-trifluorophenyl)ethyl]acetamide (PubChem CID 110477577) has the molecular formula C10H11F3N2O and a molecular weight of 232.20 g/mol. Its IUPAC name is 2-amino-N-[2-(2,3,4-trifluorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[2-(2,3,4-trifluorophenyl)ethyl]acetamide
PubChem CID110477577
Molecular FormulaC10H11F3N2O
Molecular Weight232.20 g/mol
Exact Mass232.08
IUPAC Name2-amino-N-[2-(2,3,4-trifluorophenyl)ethyl]acetamide
SMILESNCC(=O)NCCc1ccc(F)c(F)c1F
InChIInChI=1S/C10H11F3N2O/c11-7-2-1-6(9(12)10(7)13)3-4-15-8(16)5-14/h1-2H,3-5,14H2,(H,15,16)
InChIKeyLEGVUNASIZMLPP-UHFFFAOYSA-N
XLogP0.72
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.20
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[2-(2,5-difluorophenyl)ethyl]acetamide
CID 82492756
2-ethyl-N-[2-(2,3,4-trifluorophenyl)ethyl]butanamide
CID 110481347
N-[2-(2,3,4-trifluorophenyl)ethyl]pyridine-2-carboxamide
CID 110481973
2-amino-N-[(2,3-difluorophenyl)methyl]acetamide
CID 82670923
N-[2-(2,3,4-trifluorophenyl)ethyl]pyrrolidine-2-carboxamide
CID 110481257
2-amino-N-[2-(4-ethylphenyl)ethyl]acetamide
CID 94681068
6-amino-N-[(2,3,4-trifluorophenyl)methyl]hexanamide
CID 110482622
2-amino-N-(2-naphthalen-1-ylethyl)acetamide
CID 115151700
N-[(2,3,4-trifluorophenyl)methyl]propanamide
CID 110477463
2-amino-N-[2-(2-chloro-4-methoxyphenyl)ethyl]acetamide
CID 96676269
N-[2-(2,4-difluorophenyl)ethyl]-2-hydroxyacetamide
CID 115140069
2-chloro-N-[2-(3-chloro-2-fluorophenyl)ethyl]acetamide
CID 166409215

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(2,3,4-trifluorophenyl)ethyl]acetamide?
The IUPAC name of 2-amino-N-[2-(2,3,4-trifluorophenyl)ethyl]acetamide (CID 110477577) is 2-amino-N-[2-(2,3,4-trifluorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-amino-N-[2-(2,3,4-trifluorophenyl)ethyl]acetamide?
The canonical SMILES for 2-amino-N-[2-(2,3,4-trifluorophenyl)ethyl]acetamide is NCC(=O)NCCc1ccc(F)c(F)c1F.
What is the InChIKey of 2-amino-N-[2-(2,3,4-trifluorophenyl)ethyl]acetamide?
The InChIKey is LEGVUNASIZMLPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O/c11-7-2-1-6(9(12)10(7)13)3-4-15-8(16)5-14/h1-2H,3-5,14H2,(H,15,16).
What are the key properties of 2-amino-N-[2-(2,3,4-trifluorophenyl)ethyl]acetamide?
2-amino-N-[2-(2,3,4-trifluorophenyl)ethyl]acetamide has a molecular weight of 232.20 g/mol, XLogP of 0.72, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(2,3,4-trifluorophenyl)ethyl]acetamide is sourced from PubChem (CID 110477577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).