2-[2-[3-[3-[(4-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-2-hydroxypropoxy]phenyl]acetamide

C21H24ClN3O4 — CID 91556632

IUPAC2-[2-[3-[3-[(4-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-2-hydroxypropoxy]phenyl]acetamide
SMILESNC(=O)Cc1ccccc1OCC(O)CN1CCN(Cc2ccc(Cl)cc2)C1=O
InChIInChI=1S/C21H24ClN3O4/c22-17-7-5-15(6-8-17)12-24-9-10-25(21(24)28)13-18(26)14-29-19-4-2-1-3-16(19)11-20(23)27/h1-8,18,26H,9-14H2,(H2,23,27)
InChIKeyLXJDQJALSGEYIU-UHFFFAOYSA-N
MW417.89 g/mol
LogP2.05
Rot. Bonds9

About 2-[2-[3-[3-[(4-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-2-hydroxypropoxy]phenyl]acetamide

2-[2-[3-[3-[(4-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-2-hydroxypropoxy]phenyl]acetamide (PubChem CID 91556632) has the molecular formula C21H24ClN3O4 and a molecular weight of 417.89 g/mol. Its IUPAC name is 2-[2-[3-[3-[(4-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-2-hydroxypropoxy]phenyl]acetamide.

Molecular Properties

Compound Name2-[2-[3-[3-[(4-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-2-hydroxypropoxy]phenyl]acetamide
PubChem CID91556632
Molecular FormulaC21H24ClN3O4
Molecular Weight417.89 g/mol
Exact Mass417.15
IUPAC Name2-[2-[3-[3-[(4-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-2-hydroxypropoxy]phenyl]acetamide
SMILESNC(=O)Cc1ccccc1OCC(O)CN1CCN(Cc2ccc(Cl)cc2)C1=O
InChIInChI=1S/C21H24ClN3O4/c22-17-7-5-15(6-8-17)12-24-9-10-25(21(24)28)13-18(26)14-29-19-4-2-1-3-16(19)11-20(23)27/h1-8,18,26H,9-14H2,(H2,23,27)
InChIKeyLXJDQJALSGEYIU-UHFFFAOYSA-N
XLogP2.05
TPSA96.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.89
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(2R)-3-[(3S)-3-(4-chlorophenoxy)pyrrolidin-1-yl]-2-hydroxypropoxy]phenyl]acetamide
CID 154072204
N-[2-[(2S)-3-[4-[(4-chlorophenyl)methyl]-2-oxopiperazin-1-yl]-2-hydroxypropoxy]phenyl]acetamide
CID 25116230
2-[2-(4,4,4-trifluoro-2-hydroxybutoxy)phenyl]acetamide
CID 167900172
(2S)-1-(2-bromophenoxy)-3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propan-2-ol
CID 34207169
1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-3-(2-methylphenoxy)propan-2-ol
CID 3747865
2-[5-chloro-2-[2-hydroxy-3-(3-phenoxypyrrolidin-1-yl)propoxy]phenyl]acetamide
CID 70108048
2-[2-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide
CID 21397664
4-[(4-chlorophenyl)methyl]-1-[(2S)-3-[4-chloro-2-(pyrrolidine-1-carbonyl)phenoxy]-2-hydroxypropyl]piperazin-2-one
CID 71050335
3-[4-[[2-[(2R)-2-hydroxy-3-piperidin-1-ylpropoxy]phenyl]methyl]piperazin-1-yl]propanamide
CID 29218545
N-[2-[(2R)-3-[4-[(4-chlorophenyl)methyl]-2-oxopiperazin-1-yl]-2-hydroxypropoxy]-4-hydroxyphenyl]acetamide
CID 25116462
1-(4-chlorophenoxy)-3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propan-2-ol
CID 3747847
1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-3-[4-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 71960280

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-[3-[(4-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-2-hydroxypropoxy]phenyl]acetamide?
The IUPAC name of 2-[2-[3-[3-[(4-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-2-hydroxypropoxy]phenyl]acetamide (CID 91556632) is 2-[2-[3-[3-[(4-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-2-hydroxypropoxy]phenyl]acetamide.
What is the SMILES notation for 2-[2-[3-[3-[(4-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-2-hydroxypropoxy]phenyl]acetamide?
The canonical SMILES for 2-[2-[3-[3-[(4-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-2-hydroxypropoxy]phenyl]acetamide is NC(=O)Cc1ccccc1OCC(O)CN1CCN(Cc2ccc(Cl)cc2)C1=O.
What is the InChIKey of 2-[2-[3-[3-[(4-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-2-hydroxypropoxy]phenyl]acetamide?
The InChIKey is LXJDQJALSGEYIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O4/c22-17-7-5-15(6-8-17)12-24-9-10-25(21(24)28)13-18(26)14-29-19-4-2-1-3-16(19)11-20(23)27/h1-8,18,26H,9-14H2,(H2,23,27).
What are the key properties of 2-[2-[3-[3-[(4-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-2-hydroxypropoxy]phenyl]acetamide?
2-[2-[3-[3-[(4-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-2-hydroxypropoxy]phenyl]acetamide has a molecular weight of 417.89 g/mol, XLogP of 2.05, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-[3-[(4-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-2-hydroxypropoxy]phenyl]acetamide is sourced from PubChem (CID 91556632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).