4-(2-bromophenoxy)-N-[1-(2,2-difluoroethyl)piperidin-4-yl]butanamide

C17H23BrF2N2O2 — CID 49072721

IUPAC4-(2-bromophenoxy)-N-[1-(2,2-difluoroethyl)piperidin-4-yl]butanamide
SMILESO=C(CCCOc1ccccc1Br)NC1CCN(CC(F)F)CC1
InChIInChI=1S/C17H23BrF2N2O2/c18-14-4-1-2-5-15(14)24-11-3-6-17(23)21-13-7-9-22(10-8-13)12-16(19)20/h1-2,4-5,13,16H,3,6-12H2,(H,21,23)
InChIKeyMMXZHPMRISZVOM-UHFFFAOYSA-N
MW405.28 g/mol
LogP3.45
Rot. Bonds8

About 4-(2-bromophenoxy)-N-[1-(2,2-difluoroethyl)piperidin-4-yl]butanamide

4-(2-bromophenoxy)-N-[1-(2,2-difluoroethyl)piperidin-4-yl]butanamide (PubChem CID 49072721) has the molecular formula C17H23BrF2N2O2 and a molecular weight of 405.28 g/mol. Its IUPAC name is 4-(2-bromophenoxy)-N-[1-(2,2-difluoroethyl)piperidin-4-yl]butanamide.

Molecular Properties

Compound Name4-(2-bromophenoxy)-N-[1-(2,2-difluoroethyl)piperidin-4-yl]butanamide
PubChem CID49072721
Molecular FormulaC17H23BrF2N2O2
Molecular Weight405.28 g/mol
Exact Mass404.09
IUPAC Name4-(2-bromophenoxy)-N-[1-(2,2-difluoroethyl)piperidin-4-yl]butanamide
SMILESO=C(CCCOc1ccccc1Br)NC1CCN(CC(F)F)CC1
InChIInChI=1S/C17H23BrF2N2O2/c18-14-4-1-2-5-15(14)24-11-3-6-17(23)21-13-7-9-22(10-8-13)12-16(19)20/h1-2,4-5,13,16H,3,6-12H2,(H,21,23)
InChIKeyMMXZHPMRISZVOM-UHFFFAOYSA-N
XLogP3.45
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.28
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-(2-bromophenoxy)-N-[1-(2,2-difluoroethyl)piperidin-4-yl]butanamide 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

4-(2-bromophenoxy)-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]butanamide
CID 55866230
4-(2-chlorophenoxy)-N-(1-propanoylpiperidin-4-yl)butanamide
CID 108553694
4-(2-bromophenoxy)-1-[4-(methylamino)piperidin-1-yl]butan-1-one
CID 119562734
N-(1-acetylpiperidin-4-yl)-4-(2-methylphenoxy)butanamide
CID 108561273
1-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(2-propoxyphenyl)urea
CID 49111775
3-(2-bromophenoxy)-N-piperidin-4-ylpropanamide;hydrochloride
CID 119385928
4-(2-chlorophenoxy)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]butanamide
CID 49380926
N-cyclopentyl-4-(2-ethoxyphenoxy)butanamide
CID 78781833
N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-(2,4,5-trichlorophenoxy)acetamide
CID 49074675
N-(1-acetylpiperidin-4-yl)-4-(2-bromo-4-tert-butylphenoxy)butanamide
CID 108561147
N-[1-[4-(2-bromophenoxy)butanoyl]piperidin-4-yl]-4-fluorobenzenesulfonamide
CID 60511421
4-(2-chlorophenoxy)-N-(1-ethylsulfonylpiperidin-4-yl)butanamide
CID 49375250

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromophenoxy)-N-[1-(2,2-difluoroethyl)piperidin-4-yl]butanamide?
The IUPAC name of 4-(2-bromophenoxy)-N-[1-(2,2-difluoroethyl)piperidin-4-yl]butanamide (CID 49072721) is 4-(2-bromophenoxy)-N-[1-(2,2-difluoroethyl)piperidin-4-yl]butanamide.
What is the SMILES notation for 4-(2-bromophenoxy)-N-[1-(2,2-difluoroethyl)piperidin-4-yl]butanamide?
The canonical SMILES for 4-(2-bromophenoxy)-N-[1-(2,2-difluoroethyl)piperidin-4-yl]butanamide is O=C(CCCOc1ccccc1Br)NC1CCN(CC(F)F)CC1.
What is the InChIKey of 4-(2-bromophenoxy)-N-[1-(2,2-difluoroethyl)piperidin-4-yl]butanamide?
The InChIKey is MMXZHPMRISZVOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrF2N2O2/c18-14-4-1-2-5-15(14)24-11-3-6-17(23)21-13-7-9-22(10-8-13)12-16(19)20/h1-2,4-5,13,16H,3,6-12H2,(H,21,23).
What are the key properties of 4-(2-bromophenoxy)-N-[1-(2,2-difluoroethyl)piperidin-4-yl]butanamide?
4-(2-bromophenoxy)-N-[1-(2,2-difluoroethyl)piperidin-4-yl]butanamide has a molecular weight of 405.28 g/mol, XLogP of 3.45, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromophenoxy)-N-[1-(2,2-difluoroethyl)piperidin-4-yl]butanamide is sourced from PubChem (CID 49072721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).