N-[2-fluoro-4-[2-hydroxy-3-[3-(1H-imidazol-5-yl)phenyl]phenyl]phenyl]acetamide

C23H18FN3O2 — CID 166166965

IUPACN-[2-fluoro-4-[2-hydroxy-3-[3-(1H-imidazol-5-yl)phenyl]phenyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2cccc(-c3cccc(-c4cnc[nH]4)c3)c2O)cc1F
InChIInChI=1S/C23H18FN3O2/c1-14(28)27-21-9-8-16(11-20(21)24)19-7-3-6-18(23(19)29)15-4-2-5-17(10-15)22-12-25-13-26-22/h2-13,29H,1H3,(H,25,26)(H,27,28)
InChIKeyCEJSYJIDEKNXIG-UHFFFAOYSA-N
MW387.41 g/mol
LogP5.21
Rot. Bonds4

About N-[2-fluoro-4-[2-hydroxy-3-[3-(1H-imidazol-5-yl)phenyl]phenyl]phenyl]acetamide

N-[2-fluoro-4-[2-hydroxy-3-[3-(1H-imidazol-5-yl)phenyl]phenyl]phenyl]acetamide (PubChem CID 166166965) has the molecular formula C23H18FN3O2 and a molecular weight of 387.41 g/mol. Its IUPAC name is N-[2-fluoro-4-[2-hydroxy-3-[3-(1H-imidazol-5-yl)phenyl]phenyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-fluoro-4-[2-hydroxy-3-[3-(1H-imidazol-5-yl)phenyl]phenyl]phenyl]acetamide
PubChem CID166166965
Molecular FormulaC23H18FN3O2
Molecular Weight387.41 g/mol
Exact Mass387.14
IUPAC NameN-[2-fluoro-4-[2-hydroxy-3-[3-(1H-imidazol-5-yl)phenyl]phenyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2cccc(-c3cccc(-c4cnc[nH]4)c3)c2O)cc1F
InChIInChI=1S/C23H18FN3O2/c1-14(28)27-21-9-8-16(11-20(21)24)19-7-3-6-18(23(19)29)15-4-2-5-17(10-15)22-12-25-13-26-22/h2-13,29H,1H3,(H,25,26)(H,27,28)
InChIKeyCEJSYJIDEKNXIG-UHFFFAOYSA-N
XLogP5.21
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.41
LogP ≤ 55.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-4-[2-hydroxy-3-[3-(1H-imidazol-5-yl)phenyl]phenyl]phenyl]acetamide?
The IUPAC name of N-[2-fluoro-4-[2-hydroxy-3-[3-(1H-imidazol-5-yl)phenyl]phenyl]phenyl]acetamide (CID 166166965) is N-[2-fluoro-4-[2-hydroxy-3-[3-(1H-imidazol-5-yl)phenyl]phenyl]phenyl]acetamide.
What is the SMILES notation for N-[2-fluoro-4-[2-hydroxy-3-[3-(1H-imidazol-5-yl)phenyl]phenyl]phenyl]acetamide?
The canonical SMILES for N-[2-fluoro-4-[2-hydroxy-3-[3-(1H-imidazol-5-yl)phenyl]phenyl]phenyl]acetamide is CC(=O)Nc1ccc(-c2cccc(-c3cccc(-c4cnc[nH]4)c3)c2O)cc1F.
What is the InChIKey of N-[2-fluoro-4-[2-hydroxy-3-[3-(1H-imidazol-5-yl)phenyl]phenyl]phenyl]acetamide?
The InChIKey is CEJSYJIDEKNXIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN3O2/c1-14(28)27-21-9-8-16(11-20(21)24)19-7-3-6-18(23(19)29)15-4-2-5-17(10-15)22-12-25-13-26-22/h2-13,29H,1H3,(H,25,26)(H,27,28).
What are the key properties of N-[2-fluoro-4-[2-hydroxy-3-[3-(1H-imidazol-5-yl)phenyl]phenyl]phenyl]acetamide?
N-[2-fluoro-4-[2-hydroxy-3-[3-(1H-imidazol-5-yl)phenyl]phenyl]phenyl]acetamide has a molecular weight of 387.41 g/mol, XLogP of 5.21, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-4-[2-hydroxy-3-[3-(1H-imidazol-5-yl)phenyl]phenyl]phenyl]acetamide is sourced from PubChem (CID 166166965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).