(2S)-2-(4-bromo-2-chlorophenoxy)-2-phenyl-1-piperidin-1-ylethanone

C19H19BrClNO2 — CID 7700724

IUPAC(2S)-2-(4-bromo-2-chlorophenoxy)-2-phenyl-1-piperidin-1-ylethanone
SMILESO=C([C@@H](Oc1ccc(Br)cc1Cl)c1ccccc1)N1CCCCC1
InChIInChI=1S/C19H19BrClNO2/c20-15-9-10-17(16(21)13-15)24-18(14-7-3-1-4-8-14)19(23)22-11-5-2-6-12-22/h1,3-4,7-10,13,18H,2,5-6,11-12H2/t18-/m0/s1
InChIKeyQQOJFFJQXFJJQP-SFHVURJKSA-N
MW408.72 g/mol
LogP5.24
Rot. Bonds4

About (2S)-2-(4-bromo-2-chlorophenoxy)-2-phenyl-1-piperidin-1-ylethanone

(2S)-2-(4-bromo-2-chlorophenoxy)-2-phenyl-1-piperidin-1-ylethanone (PubChem CID 7700724) has the molecular formula C19H19BrClNO2 and a molecular weight of 408.72 g/mol. Its IUPAC name is (2S)-2-(4-bromo-2-chlorophenoxy)-2-phenyl-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name(2S)-2-(4-bromo-2-chlorophenoxy)-2-phenyl-1-piperidin-1-ylethanone
PubChem CID7700724
Molecular FormulaC19H19BrClNO2
Molecular Weight408.72 g/mol
Exact Mass407.03
IUPAC Name(2S)-2-(4-bromo-2-chlorophenoxy)-2-phenyl-1-piperidin-1-ylethanone
SMILESO=C([C@@H](Oc1ccc(Br)cc1Cl)c1ccccc1)N1CCCCC1
InChIInChI=1S/C19H19BrClNO2/c20-15-9-10-17(16(21)13-15)24-18(14-7-3-1-4-8-14)19(23)22-11-5-2-6-12-22/h1,3-4,7-10,13,18H,2,5-6,11-12H2/t18-/m0/s1
InChIKeyQQOJFFJQXFJJQP-SFHVURJKSA-N
XLogP5.24
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.72
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2S)-2-(4-bromo-2-chlorophenoxy)-2-phenyl-1-piperidin-1-ylethanone 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

(2R)-2-(4-bromo-2-chlorophenoxy)-2-phenyl-1-piperidin-1-ylethanone
CID 7700726
(2R)-2-(4-bromo-2-chlorophenoxy)-2-phenyl-1-pyrrolidin-1-ylethanone
CID 7700719
2-methoxy-2-phenyl-1-piperidin-1-ylethanone
CID 60775756
(2R)-1-morpholin-4-yl-2-phenyl-2-(2,4,5-trichlorophenoxy)ethanone
CID 7701309
(2S)-2-naphthalen-1-yloxy-2-phenyl-1-piperidin-1-ylethanone
CID 7697331
(2R)-2-(2-bromo-4-chlorophenoxy)-1-morpholin-4-yl-2-phenylethanone
CID 7706069
2-[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethoxy]benzamide
CID 8001851
(2S)-2-(2-nitrophenoxy)-2-phenyl-1-piperidin-1-ylethanone
CID 7697246
[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 2,5-dichlorobenzoate
CID 7699428
(2S)-1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(4-bromo-2-chlorophenoxy)propan-1-one
CID 26542842
[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 2-chloro-4,5-difluorobenzoate
CID 7699910
[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 3-chlorobenzoate
CID 7697298

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-bromo-2-chlorophenoxy)-2-phenyl-1-piperidin-1-ylethanone?
The IUPAC name of (2S)-2-(4-bromo-2-chlorophenoxy)-2-phenyl-1-piperidin-1-ylethanone (CID 7700724) is (2S)-2-(4-bromo-2-chlorophenoxy)-2-phenyl-1-piperidin-1-ylethanone.
What is the SMILES notation for (2S)-2-(4-bromo-2-chlorophenoxy)-2-phenyl-1-piperidin-1-ylethanone?
The canonical SMILES for (2S)-2-(4-bromo-2-chlorophenoxy)-2-phenyl-1-piperidin-1-ylethanone is O=C([C@@H](Oc1ccc(Br)cc1Cl)c1ccccc1)N1CCCCC1.
What is the InChIKey of (2S)-2-(4-bromo-2-chlorophenoxy)-2-phenyl-1-piperidin-1-ylethanone?
The InChIKey is QQOJFFJQXFJJQP-SFHVURJKSA-N. The full InChI is InChI=1S/C19H19BrClNO2/c20-15-9-10-17(16(21)13-15)24-18(14-7-3-1-4-8-14)19(23)22-11-5-2-6-12-22/h1,3-4,7-10,13,18H,2,5-6,11-12H2/t18-/m0/s1.
What are the key properties of (2S)-2-(4-bromo-2-chlorophenoxy)-2-phenyl-1-piperidin-1-ylethanone?
(2S)-2-(4-bromo-2-chlorophenoxy)-2-phenyl-1-piperidin-1-ylethanone has a molecular weight of 408.72 g/mol, XLogP of 5.24, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-bromo-2-chlorophenoxy)-2-phenyl-1-piperidin-1-ylethanone is sourced from PubChem (CID 7700724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).