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

C24H26FN3O3 — CID 52934396

IUPACN-[3-fluoro-4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]-2-(oxan-4-yl)acetamide
SMILESO=C(CC1CCOCC1)Nc1ccc(CCOc2ccccc2-c2cnc[nH]2)c(F)c1
InChIInChI=1S/C24H26FN3O3/c25-21-14-19(28-24(29)13-17-7-10-30-11-8-17)6-5-18(21)9-12-31-23-4-2-1-3-20(23)22-15-26-16-27-22/h1-6,14-17H,7-13H2,(H,26,27)(H,28,29)
InChIKeyXXWVIRLTMJSBDE-UHFFFAOYSA-N
MW423.49 g/mol
LogP4.59
Rot. Bonds8

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

N-[3-fluoro-4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]-2-(oxan-4-yl)acetamide (PubChem CID 52934396) has the molecular formula C24H26FN3O3 and a molecular weight of 423.49 g/mol. Its IUPAC name is N-[3-fluoro-4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]-2-(oxan-4-yl)acetamide.

Molecular Properties

Compound NameN-[3-fluoro-4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]-2-(oxan-4-yl)acetamide
PubChem CID52934396
Molecular FormulaC24H26FN3O3
Molecular Weight423.49 g/mol
Exact Mass423.20
IUPAC NameN-[3-fluoro-4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]-2-(oxan-4-yl)acetamide
SMILESO=C(CC1CCOCC1)Nc1ccc(CCOc2ccccc2-c2cnc[nH]2)c(F)c1
InChIInChI=1S/C24H26FN3O3/c25-21-14-19(28-24(29)13-17-7-10-30-11-8-17)6-5-18(21)9-12-31-23-4-2-1-3-20(23)22-15-26-16-27-22/h1-6,14-17H,7-13H2,(H,26,27)(H,28,29)
InChIKeyXXWVIRLTMJSBDE-UHFFFAOYSA-N
XLogP4.59
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-chloro-4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]-3-(oxan-4-yl)urea
CID 52934165
1-hydroxy-3-[4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]-1-(oxan-4-yl)urea
CID 86673016
N-[3-[1H-imidazol-5-yl-(2-methoxyphenyl)methyl]phenyl]-2-(oxan-4-yl)acetamide
CID 172505752
2-(oxan-4-yl)-N-phenylacetamide
CID 110856528
5-[[2-(oxan-4-yl)acetyl]amino]pyridine-2-carboxylic acid
CID 115273633
1-[3-chloro-4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]piperidine-2-carboxamide
CID 122583375
4-[[4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]carbamoyl]benzoic acid
CID 52934164
N-(4-fluorophenyl)-2-[(3R)-oxolan-3-yl]acetamide
CID 126789596
2-[3-[[2-(oxan-4-yl)acetyl]amino]phenyl]acetic acid
CID 119351700
N-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]pyrimidin-2-amine
CID 67222889
N-(2,4-difluorophenyl)-2-(oxan-4-yl)acetamide
CID 110863603
N-(3-acetylphenyl)-2-(oxan-4-yl)acetamide
CID 110861044

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]-2-(oxan-4-yl)acetamide?
The IUPAC name of N-[3-fluoro-4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]-2-(oxan-4-yl)acetamide (CID 52934396) is N-[3-fluoro-4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]-2-(oxan-4-yl)acetamide.
What is the SMILES notation for N-[3-fluoro-4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]-2-(oxan-4-yl)acetamide?
The canonical SMILES for N-[3-fluoro-4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]-2-(oxan-4-yl)acetamide is O=C(CC1CCOCC1)Nc1ccc(CCOc2ccccc2-c2cnc[nH]2)c(F)c1.
What is the InChIKey of N-[3-fluoro-4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]-2-(oxan-4-yl)acetamide?
The InChIKey is XXWVIRLTMJSBDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O3/c25-21-14-19(28-24(29)13-17-7-10-30-11-8-17)6-5-18(21)9-12-31-23-4-2-1-3-20(23)22-15-26-16-27-22/h1-6,14-17H,7-13H2,(H,26,27)(H,28,29).
What are the key properties of N-[3-fluoro-4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]-2-(oxan-4-yl)acetamide?
N-[3-fluoro-4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]-2-(oxan-4-yl)acetamide has a molecular weight of 423.49 g/mol, XLogP of 4.59, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]-2-(oxan-4-yl)acetamide is sourced from PubChem (CID 52934396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).