2-(2-bromo-4-chlorophenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide

C18H26BrClN2O2 — CID 42885093

IUPAC2-(2-bromo-4-chlorophenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide
SMILESCC(Oc1ccc(Cl)cc1Br)C(=O)NC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C18H26BrClN2O2/c1-11(24-15-7-6-12(20)8-14(15)19)16(23)21-13-9-17(2,3)22-18(4,5)10-13/h6-8,11,13,22H,9-10H2,1-5H3,(H,21,23)
InChIKeyOGRANMKKYNSMQC-UHFFFAOYSA-N
MW417.78 g/mol
LogP4.30
Rot. Bonds4

About 2-(2-bromo-4-chlorophenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide

2-(2-bromo-4-chlorophenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide (PubChem CID 42885093) has the molecular formula C18H26BrClN2O2 and a molecular weight of 417.78 g/mol. Its IUPAC name is 2-(2-bromo-4-chlorophenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide.

Molecular Properties

Compound Name2-(2-bromo-4-chlorophenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide
PubChem CID42885093
Molecular FormulaC18H26BrClN2O2
Molecular Weight417.78 g/mol
Exact Mass416.09
IUPAC Name2-(2-bromo-4-chlorophenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide
SMILESCC(Oc1ccc(Cl)cc1Br)C(=O)NC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C18H26BrClN2O2/c1-11(24-15-7-6-12(20)8-14(15)19)16(23)21-13-9-17(2,3)22-18(4,5)10-13/h6-8,11,13,22H,9-10H2,1-5H3,(H,21,23)
InChIKeyOGRANMKKYNSMQC-UHFFFAOYSA-N
XLogP4.30
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.78
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(2-bromo-4-chlorophenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide 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-bromophenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide
CID 1293555
(2R)-2-(2-bromo-4-chlorophenoxy)-N-propan-2-ylpropanamide
CID 40773106
(2R)-2-(2-methylphenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide
CID 1254093
(2S)-2-(2-bromo-4-chlorophenoxy)-N-[1-(2-methylpropyl)piperidin-4-yl]propanamide
CID 94150133
(2R)-2-(4-chloro-3-methylphenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide
CID 7380284
2-(2-bromo-4-chlorophenoxy)-N-carbamoylpropanamide
CID 3901807
methyl 2-(2-bromo-4-chlorophenoxy)propanoate
CID 20526233
2-[2-(2-bromo-4-chlorophenoxy)propanoylamino]propanoic acid
CID 43170814
2-(2-bromo-4-chlorophenoxy)-N-[(3-methyloxetan-3-yl)methyl]propanamide
CID 78957043
4-[2-(2-bromo-4-chlorophenoxy)propanoylamino]-N-cyclopropylbenzamide
CID 42944501
3-(2-bromo-4-chlorophenoxy)butan-2-one
CID 60626588
2-(2-bromo-4-chlorophenoxy)propanoyl chloride
CID 88743448

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-chlorophenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide?
The IUPAC name of 2-(2-bromo-4-chlorophenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide (CID 42885093) is 2-(2-bromo-4-chlorophenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide.
What is the SMILES notation for 2-(2-bromo-4-chlorophenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide?
The canonical SMILES for 2-(2-bromo-4-chlorophenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide is CC(Oc1ccc(Cl)cc1Br)C(=O)NC1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 2-(2-bromo-4-chlorophenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide?
The InChIKey is OGRANMKKYNSMQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26BrClN2O2/c1-11(24-15-7-6-12(20)8-14(15)19)16(23)21-13-9-17(2,3)22-18(4,5)10-13/h6-8,11,13,22H,9-10H2,1-5H3,(H,21,23).
What are the key properties of 2-(2-bromo-4-chlorophenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide?
2-(2-bromo-4-chlorophenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide has a molecular weight of 417.78 g/mol, XLogP of 4.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-chlorophenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide is sourced from PubChem (CID 42885093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).