N-(5-bromo-2,4-difluorophenyl)-3-piperidin-4-ylpropanamide

C14H17BrF2N2O — CID 102853722

IUPACN-(5-bromo-2,4-difluorophenyl)-3-piperidin-4-ylpropanamide
SMILESO=C(CCC1CCNCC1)Nc1cc(Br)c(F)cc1F
InChIInChI=1S/C14H17BrF2N2O/c15-10-7-13(12(17)8-11(10)16)19-14(20)2-1-9-3-5-18-6-4-9/h7-9,18H,1-6H2,(H,19,20)
InChIKeyLTYFFTDUWNEGMY-UHFFFAOYSA-N
MW347.20 g/mol
LogP3.45
Rot. Bonds4

About N-(5-bromo-2,4-difluorophenyl)-3-piperidin-4-ylpropanamide

N-(5-bromo-2,4-difluorophenyl)-3-piperidin-4-ylpropanamide (PubChem CID 102853722) has the molecular formula C14H17BrF2N2O and a molecular weight of 347.20 g/mol. Its IUPAC name is N-(5-bromo-2,4-difluorophenyl)-3-piperidin-4-ylpropanamide.

Molecular Properties

Compound NameN-(5-bromo-2,4-difluorophenyl)-3-piperidin-4-ylpropanamide
PubChem CID102853722
Molecular FormulaC14H17BrF2N2O
Molecular Weight347.20 g/mol
Exact Mass346.05
IUPAC NameN-(5-bromo-2,4-difluorophenyl)-3-piperidin-4-ylpropanamide
SMILESO=C(CCC1CCNCC1)Nc1cc(Br)c(F)cc1F
InChIInChI=1S/C14H17BrF2N2O/c15-10-7-13(12(17)8-11(10)16)19-14(20)2-1-9-3-5-18-6-4-9/h7-9,18H,1-6H2,(H,19,20)
InChIKeyLTYFFTDUWNEGMY-UHFFFAOYSA-N
XLogP3.45
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.20
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(5-bromo-2,4-difluorophenyl)-3-piperidin-4-ylpropanamide 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-2,5-difluorophenyl)-2-piperidin-4-ylacetamide
CID 107611674
N-(3-bromo-4-fluorophenyl)-3-piperidin-4-ylpropanamide
CID 115870611
2-(azetidin-3-yl)-N-(5-bromo-2,4-difluorophenyl)acetamide
CID 102853698
N-(3,5-difluorophenyl)-3-piperidin-4-ylpropanamide
CID 62210143
N-(4-bromo-2,5-difluorophenyl)-3-piperidin-2-ylpropanamide
CID 107611652
N-(2,4-dichlorophenyl)-3-piperidin-4-ylpropanamide
CID 62210490
N-(4-bromo-2-ethylphenyl)-3-piperidin-4-ylpropanamide
CID 81291964
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)-2-pyrrolidin-2-ylacetamide
CID 102853687
N-(2-cyano-4-fluorophenyl)-3-piperidin-4-ylpropanamide
CID 82016419
N-(3-bromo-5-chloro-2-methoxyphenyl)-3-piperidin-4-ylpropanamide
CID 62211576

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2,4-difluorophenyl)-3-piperidin-4-ylpropanamide?
The IUPAC name of N-(5-bromo-2,4-difluorophenyl)-3-piperidin-4-ylpropanamide (CID 102853722) is N-(5-bromo-2,4-difluorophenyl)-3-piperidin-4-ylpropanamide.
What is the SMILES notation for N-(5-bromo-2,4-difluorophenyl)-3-piperidin-4-ylpropanamide?
The canonical SMILES for N-(5-bromo-2,4-difluorophenyl)-3-piperidin-4-ylpropanamide is O=C(CCC1CCNCC1)Nc1cc(Br)c(F)cc1F.
What is the InChIKey of N-(5-bromo-2,4-difluorophenyl)-3-piperidin-4-ylpropanamide?
The InChIKey is LTYFFTDUWNEGMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrF2N2O/c15-10-7-13(12(17)8-11(10)16)19-14(20)2-1-9-3-5-18-6-4-9/h7-9,18H,1-6H2,(H,19,20).
What are the key properties of N-(5-bromo-2,4-difluorophenyl)-3-piperidin-4-ylpropanamide?
N-(5-bromo-2,4-difluorophenyl)-3-piperidin-4-ylpropanamide has a molecular weight of 347.20 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2,4-difluorophenyl)-3-piperidin-4-ylpropanamide is sourced from PubChem (CID 102853722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).