1'-[2-(2-bromo-4-chlorophenoxy)propanoyl]spiro[3H-chromene-2,4'-piperidine]-4-one

C22H21BrClNO4 — CID 108757628

IUPAC1'-[2-(2-bromo-4-chlorophenoxy)propanoyl]spiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCC(Oc1ccc(Cl)cc1Br)C(=O)N1CCC2(CC1)CC(=O)c1ccccc1O2
InChIInChI=1S/C22H21BrClNO4/c1-14(28-20-7-6-15(24)12-17(20)23)21(27)25-10-8-22(9-11-25)13-18(26)16-4-2-3-5-19(16)29-22/h2-7,12,14H,8-11,13H2,1H3
InChIKeyJYJXZHROTLCFMQ-UHFFFAOYSA-N
MW478.77 g/mol
LogP4.90
Rot. Bonds3

About 1'-[2-(2-bromo-4-chlorophenoxy)propanoyl]spiro[3H-chromene-2,4'-piperidine]-4-one

1'-[2-(2-bromo-4-chlorophenoxy)propanoyl]spiro[3H-chromene-2,4'-piperidine]-4-one (PubChem CID 108757628) has the molecular formula C22H21BrClNO4 and a molecular weight of 478.77 g/mol. Its IUPAC name is 1'-[2-(2-bromo-4-chlorophenoxy)propanoyl]spiro[3H-chromene-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name1'-[2-(2-bromo-4-chlorophenoxy)propanoyl]spiro[3H-chromene-2,4'-piperidine]-4-one
PubChem CID108757628
Molecular FormulaC22H21BrClNO4
Molecular Weight478.77 g/mol
Exact Mass477.03
IUPAC Name1'-[2-(2-bromo-4-chlorophenoxy)propanoyl]spiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCC(Oc1ccc(Cl)cc1Br)C(=O)N1CCC2(CC1)CC(=O)c1ccccc1O2
InChIInChI=1S/C22H21BrClNO4/c1-14(28-20-7-6-15(24)12-17(20)23)21(27)25-10-8-22(9-11-25)13-18(26)16-4-2-3-5-19(16)29-22/h2-7,12,14H,8-11,13H2,1H3
InChIKeyJYJXZHROTLCFMQ-UHFFFAOYSA-N
XLogP4.90
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.77
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1'-[2-(2-bromo-4-chlorophenoxy)propanoyl]spiro[3H-chromene-2,4'-piperidine]-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1'-(2-methylpropanoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 7260499
1'-(2-bromopropanoyl)-6-chlorospiro[3H-chromene-2,4'-piperidine]-4-one
CID 108758290
2-(2-bromo-4-chlorophenoxy)-1-(4-methylidenepiperidin-1-yl)propan-1-one
CID 56570407
1-(4-benzhydrylpiperazin-1-yl)-2-(2-bromo-4-chlorophenoxy)propan-1-one
CID 4981432
1'-(2-bromobenzoyl)-6-chlorospiro[3H-chromene-2,4'-piperidine]-4-one
CID 108758307
1'-[2-(4-bromophenoxy)propanoyl]-6,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735051
1'-[2-(2,4-dichlorophenoxy)acetyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 90585951
1'-(4-propan-2-ylbenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108734251
1'-(2-chlorobenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 7260534
1'-(4-chloro-2-nitrobenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108734313
1'-(4-chlorobenzoyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 90585858
2-(2-bromo-4-chlorophenoxy)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 46634903

Frequently Asked Questions

What is the IUPAC name of 1'-[2-(2-bromo-4-chlorophenoxy)propanoyl]spiro[3H-chromene-2,4'-piperidine]-4-one?
The IUPAC name of 1'-[2-(2-bromo-4-chlorophenoxy)propanoyl]spiro[3H-chromene-2,4'-piperidine]-4-one (CID 108757628) is 1'-[2-(2-bromo-4-chlorophenoxy)propanoyl]spiro[3H-chromene-2,4'-piperidine]-4-one.
What is the SMILES notation for 1'-[2-(2-bromo-4-chlorophenoxy)propanoyl]spiro[3H-chromene-2,4'-piperidine]-4-one?
The canonical SMILES for 1'-[2-(2-bromo-4-chlorophenoxy)propanoyl]spiro[3H-chromene-2,4'-piperidine]-4-one is CC(Oc1ccc(Cl)cc1Br)C(=O)N1CCC2(CC1)CC(=O)c1ccccc1O2.
What is the InChIKey of 1'-[2-(2-bromo-4-chlorophenoxy)propanoyl]spiro[3H-chromene-2,4'-piperidine]-4-one?
The InChIKey is JYJXZHROTLCFMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21BrClNO4/c1-14(28-20-7-6-15(24)12-17(20)23)21(27)25-10-8-22(9-11-25)13-18(26)16-4-2-3-5-19(16)29-22/h2-7,12,14H,8-11,13H2,1H3.
What are the key properties of 1'-[2-(2-bromo-4-chlorophenoxy)propanoyl]spiro[3H-chromene-2,4'-piperidine]-4-one?
1'-[2-(2-bromo-4-chlorophenoxy)propanoyl]spiro[3H-chromene-2,4'-piperidine]-4-one has a molecular weight of 478.77 g/mol, XLogP of 4.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[2-(2-bromo-4-chlorophenoxy)propanoyl]spiro[3H-chromene-2,4'-piperidine]-4-one is sourced from PubChem (CID 108757628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).