N-(4-bromo-2,5-difluorophenyl)-2-piperidin-4-ylacetamide

C13H15BrF2N2O — CID 107611674

IUPACN-(4-bromo-2,5-difluorophenyl)-2-piperidin-4-ylacetamide
SMILESO=C(CC1CCNCC1)Nc1cc(F)c(Br)cc1F
InChIInChI=1S/C13H15BrF2N2O/c14-9-6-11(16)12(7-10(9)15)18-13(19)5-8-1-3-17-4-2-8/h6-8,17H,1-5H2,(H,18,19)
InChIKeySQCMWMVBDALARF-UHFFFAOYSA-N
MW333.18 g/mol
LogP3.06
Rot. Bonds3

About N-(4-bromo-2,5-difluorophenyl)-2-piperidin-4-ylacetamide

N-(4-bromo-2,5-difluorophenyl)-2-piperidin-4-ylacetamide (PubChem CID 107611674) has the molecular formula C13H15BrF2N2O and a molecular weight of 333.18 g/mol. Its IUPAC name is N-(4-bromo-2,5-difluorophenyl)-2-piperidin-4-ylacetamide.

Molecular Properties

Compound NameN-(4-bromo-2,5-difluorophenyl)-2-piperidin-4-ylacetamide
PubChem CID107611674
Molecular FormulaC13H15BrF2N2O
Molecular Weight333.18 g/mol
Exact Mass332.03
IUPAC NameN-(4-bromo-2,5-difluorophenyl)-2-piperidin-4-ylacetamide
SMILESO=C(CC1CCNCC1)Nc1cc(F)c(Br)cc1F
InChIInChI=1S/C13H15BrF2N2O/c14-9-6-11(16)12(7-10(9)15)18-13(19)5-8-1-3-17-4-2-8/h6-8,17H,1-5H2,(H,18,19)
InChIKeySQCMWMVBDALARF-UHFFFAOYSA-N
XLogP3.06
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.18
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze N-(4-bromo-2,5-difluorophenyl)-2-piperidin-4-ylacetamide 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

N-(4-bromo-2-fluorophenyl)-2-piperidin-4-ylacetamide;hydrochloride
CID 119673443
N-(2,4-difluorophenyl)-2-piperidin-4-ylacetamide
CID 24692446
N-(5-bromo-2,4-difluorophenyl)-3-piperidin-4-ylpropanamide
CID 102853722
2-(azetidin-3-yl)-N-(5-bromo-2,4-difluorophenyl)acetamide
CID 102853698
N-(4-bromo-2,5-difluorophenyl)-2-(cyclopropylmethylamino)acetamide
CID 107611744
3-fluoro-4-[(2-piperidin-4-ylacetyl)amino]benzoic acid
CID 63188094
N-(3-bromo-2-hydroxyphenyl)-2-piperidin-4-ylacetamide
CID 81494966
N-(2-bromo-5-methylphenyl)-2-piperidin-4-ylacetamide
CID 82757301
N-(5-bromo-2,4-difluorophenyl)-2-pyrrolidin-2-ylacetamide
CID 102853687
N-(3-bromo-4-fluorophenyl)-2-pyrrolidin-3-ylacetamide
CID 113452141
N-(4-bromo-2-methylphenyl)-2-piperidin-4-ylacetamide
CID 54910115
2-bromo-N-(4-bromo-2,5-difluorophenyl)acetamide
CID 107610790

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,5-difluorophenyl)-2-piperidin-4-ylacetamide?
The IUPAC name of N-(4-bromo-2,5-difluorophenyl)-2-piperidin-4-ylacetamide (CID 107611674) is N-(4-bromo-2,5-difluorophenyl)-2-piperidin-4-ylacetamide.
What is the SMILES notation for N-(4-bromo-2,5-difluorophenyl)-2-piperidin-4-ylacetamide?
The canonical SMILES for N-(4-bromo-2,5-difluorophenyl)-2-piperidin-4-ylacetamide is O=C(CC1CCNCC1)Nc1cc(F)c(Br)cc1F.
What is the InChIKey of N-(4-bromo-2,5-difluorophenyl)-2-piperidin-4-ylacetamide?
The InChIKey is SQCMWMVBDALARF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrF2N2O/c14-9-6-11(16)12(7-10(9)15)18-13(19)5-8-1-3-17-4-2-8/h6-8,17H,1-5H2,(H,18,19).
What are the key properties of N-(4-bromo-2,5-difluorophenyl)-2-piperidin-4-ylacetamide?
N-(4-bromo-2,5-difluorophenyl)-2-piperidin-4-ylacetamide has a molecular weight of 333.18 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,5-difluorophenyl)-2-piperidin-4-ylacetamide is sourced from PubChem (CID 107611674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).