N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-2-naphthalen-2-yloxyacetamide

C23H20FN3O2 — CID 60586539

IUPACN-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-2-naphthalen-2-yloxyacetamide
SMILESCc1nccn1-c1ccc(CNC(=O)COc2ccc3ccccc3c2)cc1F
InChIInChI=1S/C23H20FN3O2/c1-16-25-10-11-27(16)22-9-6-17(12-21(22)24)14-26-23(28)15-29-20-8-7-18-4-2-3-5-19(18)13-20/h2-13H,14-15H2,1H3,(H,26,28)
InChIKeyFOIHYJKUXQKKMG-UHFFFAOYSA-N
MW389.43 g/mol
LogP4.17
Rot. Bonds6

About N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-2-naphthalen-2-yloxyacetamide

N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-2-naphthalen-2-yloxyacetamide (PubChem CID 60586539) has the molecular formula C23H20FN3O2 and a molecular weight of 389.43 g/mol. Its IUPAC name is N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-2-naphthalen-2-yloxyacetamide.

Molecular Properties

Compound NameN-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-2-naphthalen-2-yloxyacetamide
PubChem CID60586539
Molecular FormulaC23H20FN3O2
Molecular Weight389.43 g/mol
Exact Mass389.15
IUPAC NameN-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-2-naphthalen-2-yloxyacetamide
SMILESCc1nccn1-c1ccc(CNC(=O)COc2ccc3ccccc3c2)cc1F
InChIInChI=1S/C23H20FN3O2/c1-16-25-10-11-27(16)22-9-6-17(12-21(22)24)14-26-23(28)15-29-20-8-7-18-4-2-3-5-19(18)13-20/h2-13H,14-15H2,1H3,(H,26,28)
InChIKeyFOIHYJKUXQKKMG-UHFFFAOYSA-N
XLogP4.17
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-2-naphthalen-2-yloxyacetamide?
The IUPAC name of N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-2-naphthalen-2-yloxyacetamide (CID 60586539) is N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-2-naphthalen-2-yloxyacetamide.
What is the SMILES notation for N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-2-naphthalen-2-yloxyacetamide?
The canonical SMILES for N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-2-naphthalen-2-yloxyacetamide is Cc1nccn1-c1ccc(CNC(=O)COc2ccc3ccccc3c2)cc1F.
What is the InChIKey of N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-2-naphthalen-2-yloxyacetamide?
The InChIKey is FOIHYJKUXQKKMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O2/c1-16-25-10-11-27(16)22-9-6-17(12-21(22)24)14-26-23(28)15-29-20-8-7-18-4-2-3-5-19(18)13-20/h2-13H,14-15H2,1H3,(H,26,28).
What are the key properties of N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-2-naphthalen-2-yloxyacetamide?
N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-2-naphthalen-2-yloxyacetamide has a molecular weight of 389.43 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-2-naphthalen-2-yloxyacetamide is sourced from PubChem (CID 60586539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).