2-[3-[1-[3-chloro-5-fluoro-2-(hydroxymethyl)phenyl]ethyl]-2,5-diphenoxyimidazolidin-1-yl]acetamide

C26H27ClFN3O4 — CID 175190278

IUPAC2-[3-[1-[3-chloro-5-fluoro-2-(hydroxymethyl)phenyl]ethyl]-2,5-diphenoxyimidazolidin-1-yl]acetamide
SMILESCC(c1cc(F)cc(Cl)c1CO)N1CC(Oc2ccccc2)N(CC(N)=O)C1Oc1ccccc1
InChIInChI=1S/C26H27ClFN3O4/c1-17(21-12-18(28)13-23(27)22(21)16-32)30-15-25(34-19-8-4-2-5-9-19)31(14-24(29)33)26(30)35-20-10-6-3-7-11-20/h2-13,17,25-26,32H,14-16H2,1H3,(H2,29,33)
InChIKeyZYRRMRGRYMORAD-UHFFFAOYSA-N
MW499.97 g/mol
LogP3.90
Rot. Bonds9

About 2-[3-[1-[3-chloro-5-fluoro-2-(hydroxymethyl)phenyl]ethyl]-2,5-diphenoxyimidazolidin-1-yl]acetamide

2-[3-[1-[3-chloro-5-fluoro-2-(hydroxymethyl)phenyl]ethyl]-2,5-diphenoxyimidazolidin-1-yl]acetamide (PubChem CID 175190278) has the molecular formula C26H27ClFN3O4 and a molecular weight of 499.97 g/mol. Its IUPAC name is 2-[3-[1-[3-chloro-5-fluoro-2-(hydroxymethyl)phenyl]ethyl]-2,5-diphenoxyimidazolidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[3-[1-[3-chloro-5-fluoro-2-(hydroxymethyl)phenyl]ethyl]-2,5-diphenoxyimidazolidin-1-yl]acetamide
PubChem CID175190278
Molecular FormulaC26H27ClFN3O4
Molecular Weight499.97 g/mol
Exact Mass499.17
IUPAC Name2-[3-[1-[3-chloro-5-fluoro-2-(hydroxymethyl)phenyl]ethyl]-2,5-diphenoxyimidazolidin-1-yl]acetamide
SMILESCC(c1cc(F)cc(Cl)c1CO)N1CC(Oc2ccccc2)N(CC(N)=O)C1Oc1ccccc1
InChIInChI=1S/C26H27ClFN3O4/c1-17(21-12-18(28)13-23(27)22(21)16-32)30-15-25(34-19-8-4-2-5-9-19)31(14-24(29)33)26(30)35-20-10-6-3-7-11-20/h2-13,17,25-26,32H,14-16H2,1H3,(H2,29,33)
InChIKeyZYRRMRGRYMORAD-UHFFFAOYSA-N
XLogP3.90
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.97
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(1S)-1-[3-chloro-5-fluoro-2-(hydroxymethyl)phenyl]ethyl]-3-hydroxypyrrolidin-2-one
CID 175192496
tert-butyl 3-[(1S)-1-[3-chloro-5-fluoro-2-(hydroxymethyl)phenyl]ethyl]-2-oxoimidazolidine-1-carboxylate
CID 164851611
1-[(1S)-1-[3-chloro-5-fluoro-2-(hydroxymethyl)phenyl]ethyl]-3,4-dimethylpiperazine-2,5-dione
CID 155319373
(3S)-1-[(1S)-1-[3-chloro-5-fluoro-2-(hydroxymethyl)phenyl]ethyl]-3,4-dimethylpiperazine-2,5-dione
CID 162715358
2-(4-phenoxypiperidin-1-yl)acetamide
CID 47395345
3-[1-[(2-chloro-4-fluorophenyl)methyl]pyrrolidin-3-yl]oxybenzoic acid
CID 166295366
(5S)-1-[(1S)-1-[3-chloro-2-(chloromethyl)-5-fluorophenyl]ethyl]-5-hydroxypiperidin-2-one
CID 162715395
2-[4-[(1S)-1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]acetamide
CID 94435985
2-[4-[1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]acetamide
CID 56818364
2-(3-phenoxyazetidin-1-yl)-N-propan-2-ylacetamide
CID 91844201
(5R)-1-[(1S)-1-[3-chloro-2-(chloromethyl)-5-fluorophenyl]ethyl]-4,5-dimethylpiperazine-2,3-dione
CID 162715378
2-[5-chloro-2-[2-hydroxy-3-(3-phenoxypyrrolidin-1-yl)propoxy]phenyl]acetamide
CID 70108048

Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-[3-chloro-5-fluoro-2-(hydroxymethyl)phenyl]ethyl]-2,5-diphenoxyimidazolidin-1-yl]acetamide?
The IUPAC name of 2-[3-[1-[3-chloro-5-fluoro-2-(hydroxymethyl)phenyl]ethyl]-2,5-diphenoxyimidazolidin-1-yl]acetamide (CID 175190278) is 2-[3-[1-[3-chloro-5-fluoro-2-(hydroxymethyl)phenyl]ethyl]-2,5-diphenoxyimidazolidin-1-yl]acetamide.
What is the SMILES notation for 2-[3-[1-[3-chloro-5-fluoro-2-(hydroxymethyl)phenyl]ethyl]-2,5-diphenoxyimidazolidin-1-yl]acetamide?
The canonical SMILES for 2-[3-[1-[3-chloro-5-fluoro-2-(hydroxymethyl)phenyl]ethyl]-2,5-diphenoxyimidazolidin-1-yl]acetamide is CC(c1cc(F)cc(Cl)c1CO)N1CC(Oc2ccccc2)N(CC(N)=O)C1Oc1ccccc1.
What is the InChIKey of 2-[3-[1-[3-chloro-5-fluoro-2-(hydroxymethyl)phenyl]ethyl]-2,5-diphenoxyimidazolidin-1-yl]acetamide?
The InChIKey is ZYRRMRGRYMORAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClFN3O4/c1-17(21-12-18(28)13-23(27)22(21)16-32)30-15-25(34-19-8-4-2-5-9-19)31(14-24(29)33)26(30)35-20-10-6-3-7-11-20/h2-13,17,25-26,32H,14-16H2,1H3,(H2,29,33).
What are the key properties of 2-[3-[1-[3-chloro-5-fluoro-2-(hydroxymethyl)phenyl]ethyl]-2,5-diphenoxyimidazolidin-1-yl]acetamide?
2-[3-[1-[3-chloro-5-fluoro-2-(hydroxymethyl)phenyl]ethyl]-2,5-diphenoxyimidazolidin-1-yl]acetamide has a molecular weight of 499.97 g/mol, XLogP of 3.90, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[1-[3-chloro-5-fluoro-2-(hydroxymethyl)phenyl]ethyl]-2,5-diphenoxyimidazolidin-1-yl]acetamide is sourced from PubChem (CID 175190278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).