2-[4-(2-aminoethoxy)phenyl]-N-[(1S)-2,2,2-trifluoro-1-pyridin-2-ylethyl]acetamide

C17H18F3N3O2 — CID 126428915

IUPAC2-[4-(2-aminoethoxy)phenyl]-N-[(1S)-2,2,2-trifluoro-1-pyridin-2-ylethyl]acetamide
SMILESNCCOc1ccc(CC(=O)N[C@@H](c2ccccn2)C(F)(F)F)cc1
InChIInChI=1S/C17H18F3N3O2/c18-17(19,20)16(14-3-1-2-9-22-14)23-15(24)11-12-4-6-13(7-5-12)25-10-8-21/h1-7,9,16H,8,10-11,21H2,(H,23,24)/t16-/m0/s1
InChIKeyUSYGIYJZSKBGGV-INIZCTEOSA-N
MW353.34 g/mol
LogP2.38
Rot. Bonds7

About 2-[4-(2-aminoethoxy)phenyl]-N-[(1S)-2,2,2-trifluoro-1-pyridin-2-ylethyl]acetamide

2-[4-(2-aminoethoxy)phenyl]-N-[(1S)-2,2,2-trifluoro-1-pyridin-2-ylethyl]acetamide (PubChem CID 126428915) has the molecular formula C17H18F3N3O2 and a molecular weight of 353.34 g/mol. Its IUPAC name is 2-[4-(2-aminoethoxy)phenyl]-N-[(1S)-2,2,2-trifluoro-1-pyridin-2-ylethyl]acetamide.

Molecular Properties

Compound Name2-[4-(2-aminoethoxy)phenyl]-N-[(1S)-2,2,2-trifluoro-1-pyridin-2-ylethyl]acetamide
PubChem CID126428915
Molecular FormulaC17H18F3N3O2
Molecular Weight353.34 g/mol
Exact Mass353.14
IUPAC Name2-[4-(2-aminoethoxy)phenyl]-N-[(1S)-2,2,2-trifluoro-1-pyridin-2-ylethyl]acetamide
SMILESNCCOc1ccc(CC(=O)N[C@@H](c2ccccn2)C(F)(F)F)cc1
InChIInChI=1S/C17H18F3N3O2/c18-17(19,20)16(14-3-1-2-9-22-14)23-15(24)11-12-4-6-13(7-5-12)25-10-8-21/h1-7,9,16H,8,10-11,21H2,(H,23,24)/t16-/m0/s1
InChIKeyUSYGIYJZSKBGGV-INIZCTEOSA-N
XLogP2.38
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.34
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminoethoxy)phenyl]-N-[(1S)-2,2,2-trifluoro-1-pyridin-2-ylethyl]acetamide?
The IUPAC name of 2-[4-(2-aminoethoxy)phenyl]-N-[(1S)-2,2,2-trifluoro-1-pyridin-2-ylethyl]acetamide (CID 126428915) is 2-[4-(2-aminoethoxy)phenyl]-N-[(1S)-2,2,2-trifluoro-1-pyridin-2-ylethyl]acetamide.
What is the SMILES notation for 2-[4-(2-aminoethoxy)phenyl]-N-[(1S)-2,2,2-trifluoro-1-pyridin-2-ylethyl]acetamide?
The canonical SMILES for 2-[4-(2-aminoethoxy)phenyl]-N-[(1S)-2,2,2-trifluoro-1-pyridin-2-ylethyl]acetamide is NCCOc1ccc(CC(=O)N[C@@H](c2ccccn2)C(F)(F)F)cc1.
What is the InChIKey of 2-[4-(2-aminoethoxy)phenyl]-N-[(1S)-2,2,2-trifluoro-1-pyridin-2-ylethyl]acetamide?
The InChIKey is USYGIYJZSKBGGV-INIZCTEOSA-N. The full InChI is InChI=1S/C17H18F3N3O2/c18-17(19,20)16(14-3-1-2-9-22-14)23-15(24)11-12-4-6-13(7-5-12)25-10-8-21/h1-7,9,16H,8,10-11,21H2,(H,23,24)/t16-/m0/s1.
What are the key properties of 2-[4-(2-aminoethoxy)phenyl]-N-[(1S)-2,2,2-trifluoro-1-pyridin-2-ylethyl]acetamide?
2-[4-(2-aminoethoxy)phenyl]-N-[(1S)-2,2,2-trifluoro-1-pyridin-2-ylethyl]acetamide has a molecular weight of 353.34 g/mol, XLogP of 2.38, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-aminoethoxy)phenyl]-N-[(1S)-2,2,2-trifluoro-1-pyridin-2-ylethyl]acetamide is sourced from PubChem (CID 126428915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).