N-(2-bromo-6-fluorophenyl)-4-methylpiperidine-2-carboxamide

C13H16BrFN2O — CID 107600020

IUPACN-(2-bromo-6-fluorophenyl)-4-methylpiperidine-2-carboxamide
SMILESCC1CCNC(C(=O)Nc2c(F)cccc2Br)C1
InChIInChI=1S/C13H16BrFN2O/c1-8-5-6-16-11(7-8)13(18)17-12-9(14)3-2-4-10(12)15/h2-4,8,11,16H,5-7H2,1H3,(H,17,18)
InChIKeyDSRNFDCPXULTQE-UHFFFAOYSA-N
MW315.19 g/mol
LogP2.91
Rot. Bonds2

About N-(2-bromo-6-fluorophenyl)-4-methylpiperidine-2-carboxamide

N-(2-bromo-6-fluorophenyl)-4-methylpiperidine-2-carboxamide (PubChem CID 107600020) has the molecular formula C13H16BrFN2O and a molecular weight of 315.19 g/mol. Its IUPAC name is N-(2-bromo-6-fluorophenyl)-4-methylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-6-fluorophenyl)-4-methylpiperidine-2-carboxamide
PubChem CID107600020
Molecular FormulaC13H16BrFN2O
Molecular Weight315.19 g/mol
Exact Mass314.04
IUPAC NameN-(2-bromo-6-fluorophenyl)-4-methylpiperidine-2-carboxamide
SMILESCC1CCNC(C(=O)Nc2c(F)cccc2Br)C1
InChIInChI=1S/C13H16BrFN2O/c1-8-5-6-16-11(7-8)13(18)17-12-9(14)3-2-4-10(12)15/h2-4,8,11,16H,5-7H2,1H3,(H,17,18)
InChIKeyDSRNFDCPXULTQE-UHFFFAOYSA-N
XLogP2.91
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.19
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromo-6-fluorophenyl)-2-methylpiperidine-4-carboxamide
CID 107599839
4-methyl-N-(2,4,6-tribromophenyl)piperidine-2-carboxamide
CID 114422755
N-(4-bromo-2,5-difluorophenyl)-4-methylpiperidine-2-carboxamide
CID 107611804
N-(2,6-difluorophenyl)-4-ethylpiperidine-2-carboxamide
CID 114428002
N-(2-chloro-4,6-difluorophenyl)-4-methylpiperidine-2-carboxamide
CID 114424428
N-(2,6-difluorophenyl)pyrrolidine-2-carboxamide
CID 43124050
N-[3-(carbamoylamino)phenyl]-4-methylpiperidine-2-carboxamide
CID 114423130
N-(2,6-dibromophenyl)-2-methylpyrrolidine-3-carboxamide
CID 107599756
4-methyl-N-(4-methylsulfanylphenyl)piperidine-2-carboxamide
CID 114422593
4-methyl-N-[2-(trifluoromethyl)phenyl]piperidine-2-carboxamide
CID 114422580
N-(2-bromo-6-fluorophenyl)acetamide
CID 59145529
N-(3-methoxyphenyl)-4-methylpiperidine-2-carboxamide
CID 114422679

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-6-fluorophenyl)-4-methylpiperidine-2-carboxamide?
The IUPAC name of N-(2-bromo-6-fluorophenyl)-4-methylpiperidine-2-carboxamide (CID 107600020) is N-(2-bromo-6-fluorophenyl)-4-methylpiperidine-2-carboxamide.
What is the SMILES notation for N-(2-bromo-6-fluorophenyl)-4-methylpiperidine-2-carboxamide?
The canonical SMILES for N-(2-bromo-6-fluorophenyl)-4-methylpiperidine-2-carboxamide is CC1CCNC(C(=O)Nc2c(F)cccc2Br)C1.
What is the InChIKey of N-(2-bromo-6-fluorophenyl)-4-methylpiperidine-2-carboxamide?
The InChIKey is DSRNFDCPXULTQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrFN2O/c1-8-5-6-16-11(7-8)13(18)17-12-9(14)3-2-4-10(12)15/h2-4,8,11,16H,5-7H2,1H3,(H,17,18).
What are the key properties of N-(2-bromo-6-fluorophenyl)-4-methylpiperidine-2-carboxamide?
N-(2-bromo-6-fluorophenyl)-4-methylpiperidine-2-carboxamide has a molecular weight of 315.19 g/mol, XLogP of 2.91, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-6-fluorophenyl)-4-methylpiperidine-2-carboxamide is sourced from PubChem (CID 107600020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).