N-(4-bromo-2,5-difluorophenyl)-4-methylpiperidine-2-carboxamide

C13H15BrF2N2O — CID 107611804

IUPACN-(4-bromo-2,5-difluorophenyl)-4-methylpiperidine-2-carboxamide
SMILESCC1CCNC(C(=O)Nc2cc(F)c(Br)cc2F)C1
InChIInChI=1S/C13H15BrF2N2O/c1-7-2-3-17-12(4-7)13(19)18-11-6-9(15)8(14)5-10(11)16/h5-7,12,17H,2-4H2,1H3,(H,18,19)
InChIKeyBZOMTIXOWLAACR-UHFFFAOYSA-N
MW333.18 g/mol
LogP3.05
Rot. Bonds2

About N-(4-bromo-2,5-difluorophenyl)-4-methylpiperidine-2-carboxamide

N-(4-bromo-2,5-difluorophenyl)-4-methylpiperidine-2-carboxamide (PubChem CID 107611804) has the molecular formula C13H15BrF2N2O and a molecular weight of 333.18 g/mol. Its IUPAC name is N-(4-bromo-2,5-difluorophenyl)-4-methylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2,5-difluorophenyl)-4-methylpiperidine-2-carboxamide
PubChem CID107611804
Molecular FormulaC13H15BrF2N2O
Molecular Weight333.18 g/mol
Exact Mass332.03
IUPAC NameN-(4-bromo-2,5-difluorophenyl)-4-methylpiperidine-2-carboxamide
SMILESCC1CCNC(C(=O)Nc2cc(F)c(Br)cc2F)C1
InChIInChI=1S/C13H15BrF2N2O/c1-7-2-3-17-12(4-7)13(19)18-11-6-9(15)8(14)5-10(11)16/h5-7,12,17H,2-4H2,1H3,(H,18,19)
InChIKeyBZOMTIXOWLAACR-UHFFFAOYSA-N
XLogP3.05
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.18
LogP ≤ 53.05
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-(2-bromo-6-fluorophenyl)-4-methylpiperidine-2-carboxamide
CID 107600020
4-methyl-N-(2,4,6-tribromophenyl)piperidine-2-carboxamide
CID 114422755
N-(2-chloro-4,6-difluorophenyl)-4-methylpiperidine-2-carboxamide
CID 114424428
4-bromo-2-[(4-methylpiperidine-2-carbonyl)amino]benzoic acid
CID 114423645
N-(4-bromo-2,5-difluorophenyl)-2-oxo-1,3-thiazolidine-4-carboxamide
CID 107612421
4-methyl-N-[2-(trifluoromethyl)phenyl]piperidine-2-carboxamide
CID 114422580
N-(4-iodo-2-methylphenyl)-4-methylpiperidine-2-carboxamide
CID 114423070
N-(5-chloro-2-cyanophenyl)-4-methylpiperidine-2-carboxamide
CID 114422973
5-methoxy-2-[(4-methylpiperidine-2-carbonyl)amino]benzoic acid
CID 114424357
N-(4-bromo-2,5-difluorophenyl)-3-methyloxolane-2-carboxamide
CID 103842465
4-methyl-N-(4-methylsulfanylphenyl)piperidine-2-carboxamide
CID 114422593
N-(2-chloro-3-pyridinyl)-4-methylpiperidine-2-carboxamide
CID 114423016

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,5-difluorophenyl)-4-methylpiperidine-2-carboxamide?
The IUPAC name of N-(4-bromo-2,5-difluorophenyl)-4-methylpiperidine-2-carboxamide (CID 107611804) is N-(4-bromo-2,5-difluorophenyl)-4-methylpiperidine-2-carboxamide.
What is the SMILES notation for N-(4-bromo-2,5-difluorophenyl)-4-methylpiperidine-2-carboxamide?
The canonical SMILES for N-(4-bromo-2,5-difluorophenyl)-4-methylpiperidine-2-carboxamide is CC1CCNC(C(=O)Nc2cc(F)c(Br)cc2F)C1.
What is the InChIKey of N-(4-bromo-2,5-difluorophenyl)-4-methylpiperidine-2-carboxamide?
The InChIKey is BZOMTIXOWLAACR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrF2N2O/c1-7-2-3-17-12(4-7)13(19)18-11-6-9(15)8(14)5-10(11)16/h5-7,12,17H,2-4H2,1H3,(H,18,19).
What are the key properties of N-(4-bromo-2,5-difluorophenyl)-4-methylpiperidine-2-carboxamide?
N-(4-bromo-2,5-difluorophenyl)-4-methylpiperidine-2-carboxamide has a molecular weight of 333.18 g/mol, XLogP of 3.05, 2 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)-4-methylpiperidine-2-carboxamide is sourced from PubChem (CID 107611804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).