(2R)-2-(2-ethoxyethoxy)-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]propanamide

C17H22FN3O3 — CID 94675288

IUPAC(2R)-2-(2-ethoxyethoxy)-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]propanamide
SMILESCCOCCO[C@H](C)C(=O)Nc1ccc(-n2ccnc2C)c(F)c1
InChIInChI=1S/C17H22FN3O3/c1-4-23-9-10-24-12(2)17(22)20-14-5-6-16(15(18)11-14)21-8-7-19-13(21)3/h5-8,11-12H,4,9-10H2,1-3H3,(H,20,22)/t12-/m1/s1
InChIKeyYYXXFLLTKIEJLJ-GFCCVEGCSA-N
MW335.38 g/mol
LogP2.70
Rot. Bonds8

About (2R)-2-(2-ethoxyethoxy)-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]propanamide

(2R)-2-(2-ethoxyethoxy)-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]propanamide (PubChem CID 94675288) has the molecular formula C17H22FN3O3 and a molecular weight of 335.38 g/mol. Its IUPAC name is (2R)-2-(2-ethoxyethoxy)-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(2-ethoxyethoxy)-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]propanamide
PubChem CID94675288
Molecular FormulaC17H22FN3O3
Molecular Weight335.38 g/mol
Exact Mass335.16
IUPAC Name(2R)-2-(2-ethoxyethoxy)-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]propanamide
SMILESCCOCCO[C@H](C)C(=O)Nc1ccc(-n2ccnc2C)c(F)c1
InChIInChI=1S/C17H22FN3O3/c1-4-23-9-10-24-12(2)17(22)20-14-5-6-16(15(18)11-14)21-8-7-19-13(21)3/h5-8,11-12H,4,9-10H2,1-3H3,(H,20,22)/t12-/m1/s1
InChIKeyYYXXFLLTKIEJLJ-GFCCVEGCSA-N
XLogP2.70
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-ethoxyethoxy)-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]propanamide?
The IUPAC name of (2R)-2-(2-ethoxyethoxy)-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]propanamide (CID 94675288) is (2R)-2-(2-ethoxyethoxy)-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]propanamide.
What is the SMILES notation for (2R)-2-(2-ethoxyethoxy)-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]propanamide?
The canonical SMILES for (2R)-2-(2-ethoxyethoxy)-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]propanamide is CCOCCO[C@H](C)C(=O)Nc1ccc(-n2ccnc2C)c(F)c1.
What is the InChIKey of (2R)-2-(2-ethoxyethoxy)-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]propanamide?
The InChIKey is YYXXFLLTKIEJLJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H22FN3O3/c1-4-23-9-10-24-12(2)17(22)20-14-5-6-16(15(18)11-14)21-8-7-19-13(21)3/h5-8,11-12H,4,9-10H2,1-3H3,(H,20,22)/t12-/m1/s1.
What are the key properties of (2R)-2-(2-ethoxyethoxy)-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]propanamide?
(2R)-2-(2-ethoxyethoxy)-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]propanamide has a molecular weight of 335.38 g/mol, XLogP of 2.70, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-ethoxyethoxy)-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]propanamide is sourced from PubChem (CID 94675288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).