2-(4-fluorophenoxy)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide

C20H20FN3O3 — CID 51269495

IUPAC2-(4-fluorophenoxy)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
SMILESCOc1ccccc1C(NC(=O)COc1ccc(F)cc1)c1nccn1C
InChIInChI=1S/C20H20FN3O3/c1-24-12-11-22-20(24)19(16-5-3-4-6-17(16)26-2)23-18(25)13-27-15-9-7-14(21)8-10-15/h3-12,19H,13H2,1-2H3,(H,23,25)
InChIKeyJIOJRRSERSAIKM-UHFFFAOYSA-N
MW369.40 g/mol
LogP2.85
Rot. Bonds7

About 2-(4-fluorophenoxy)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide

2-(4-fluorophenoxy)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide (PubChem CID 51269495) has the molecular formula C20H20FN3O3 and a molecular weight of 369.40 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
PubChem CID51269495
Molecular FormulaC20H20FN3O3
Molecular Weight369.40 g/mol
Exact Mass369.15
IUPAC Name2-(4-fluorophenoxy)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
SMILESCOc1ccccc1C(NC(=O)COc1ccc(F)cc1)c1nccn1C
InChIInChI=1S/C20H20FN3O3/c1-24-12-11-22-20(24)19(16-5-3-4-6-17(16)26-2)23-18(25)13-27-15-9-7-14(21)8-10-15/h3-12,19H,13H2,1-2H3,(H,23,25)
InChIKeyJIOJRRSERSAIKM-UHFFFAOYSA-N
XLogP2.85
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide?
The IUPAC name of 2-(4-fluorophenoxy)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide (CID 51269495) is 2-(4-fluorophenoxy)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenoxy)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide?
The canonical SMILES for 2-(4-fluorophenoxy)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide is COc1ccccc1C(NC(=O)COc1ccc(F)cc1)c1nccn1C.
What is the InChIKey of 2-(4-fluorophenoxy)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide?
The InChIKey is JIOJRRSERSAIKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O3/c1-24-12-11-22-20(24)19(16-5-3-4-6-17(16)26-2)23-18(25)13-27-15-9-7-14(21)8-10-15/h3-12,19H,13H2,1-2H3,(H,23,25).
What are the key properties of 2-(4-fluorophenoxy)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide?
2-(4-fluorophenoxy)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide has a molecular weight of 369.40 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide is sourced from PubChem (CID 51269495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).