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

C14H17BrF2N2O — CID 107611652

IUPACN-(4-bromo-2,5-difluorophenyl)-3-piperidin-2-ylpropanamide
SMILESO=C(CCC1CCCCN1)Nc1cc(F)c(Br)cc1F
InChIInChI=1S/C14H17BrF2N2O/c15-10-7-12(17)13(8-11(10)16)19-14(20)5-4-9-3-1-2-6-18-9/h7-9,18H,1-6H2,(H,19,20)
InChIKeyUVWDSUGWKGLVRS-UHFFFAOYSA-N
MW347.20 g/mol
LogP3.59
Rot. Bonds4

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

N-(4-bromo-2,5-difluorophenyl)-3-piperidin-2-ylpropanamide (PubChem CID 107611652) has the molecular formula C14H17BrF2N2O and a molecular weight of 347.20 g/mol. Its IUPAC name is N-(4-bromo-2,5-difluorophenyl)-3-piperidin-2-ylpropanamide.

Molecular Properties

Compound NameN-(4-bromo-2,5-difluorophenyl)-3-piperidin-2-ylpropanamide
PubChem CID107611652
Molecular FormulaC14H17BrF2N2O
Molecular Weight347.20 g/mol
Exact Mass346.05
IUPAC NameN-(4-bromo-2,5-difluorophenyl)-3-piperidin-2-ylpropanamide
SMILESO=C(CCC1CCCCN1)Nc1cc(F)c(Br)cc1F
InChIInChI=1S/C14H17BrF2N2O/c15-10-7-12(17)13(8-11(10)16)19-14(20)5-4-9-3-1-2-6-18-9/h7-9,18H,1-6H2,(H,19,20)
InChIKeyUVWDSUGWKGLVRS-UHFFFAOYSA-N
XLogP3.59
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 ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-bromo-2,6-difluorophenyl)-3-piperidin-2-ylpropanamide
CID 65469168
N-(5-bromo-2,4-difluorophenyl)-2-pyrrolidin-2-ylacetamide
CID 102853687
3-piperidin-2-yl-N-(3,4,5-trifluorophenyl)propanamide
CID 62813870
N-(2,6-dibromophenyl)-3-piperidin-2-ylpropanamide
CID 107599604
N-(5-bromo-2,4-difluorophenyl)-3-piperidin-4-ylpropanamide
CID 102853722
N-(3-fluoro-4-methylphenyl)-3-piperidin-2-ylpropanamide
CID 62212237
N-(4-bromo-2,5-difluorophenyl)-2-piperidin-4-ylacetamide
CID 107611674
2-(3-piperidin-2-ylpropanoylamino)benzamide
CID 62210500
N-(5-chloro-2-cyanophenyl)-3-piperidin-2-ylpropanamide
CID 62211574
N-[(2,5-difluorophenyl)methyl]-3-piperidin-2-ylpropanamide
CID 63794479
4-amino-N-(4-bromo-2,5-difluorophenyl)butanamide
CID 107611740
N-(3-fluoro-5-nitrophenyl)-3-piperidin-2-ylpropanamide
CID 107335001

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,5-difluorophenyl)-3-piperidin-2-ylpropanamide?
The IUPAC name of N-(4-bromo-2,5-difluorophenyl)-3-piperidin-2-ylpropanamide (CID 107611652) is N-(4-bromo-2,5-difluorophenyl)-3-piperidin-2-ylpropanamide.
What is the SMILES notation for N-(4-bromo-2,5-difluorophenyl)-3-piperidin-2-ylpropanamide?
The canonical SMILES for N-(4-bromo-2,5-difluorophenyl)-3-piperidin-2-ylpropanamide is O=C(CCC1CCCCN1)Nc1cc(F)c(Br)cc1F.
What is the InChIKey of N-(4-bromo-2,5-difluorophenyl)-3-piperidin-2-ylpropanamide?
The InChIKey is UVWDSUGWKGLVRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrF2N2O/c15-10-7-12(17)13(8-11(10)16)19-14(20)5-4-9-3-1-2-6-18-9/h7-9,18H,1-6H2,(H,19,20).
What are the key properties of N-(4-bromo-2,5-difluorophenyl)-3-piperidin-2-ylpropanamide?
N-(4-bromo-2,5-difluorophenyl)-3-piperidin-2-ylpropanamide has a molecular weight of 347.20 g/mol, XLogP of 3.59, 4 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)-3-piperidin-2-ylpropanamide is sourced from PubChem (CID 107611652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).