N-(5-bromo-4-fluoro-2-methylphenyl)-4-propylpiperidine-4-carboxamide

C16H22BrFN2O — CID 107592306

IUPACN-(5-bromo-4-fluoro-2-methylphenyl)-4-propylpiperidine-4-carboxamide
SMILESCCCC1(C(=O)Nc2cc(Br)c(F)cc2C)CCNCC1
InChIInChI=1S/C16H22BrFN2O/c1-3-4-16(5-7-19-8-6-16)15(21)20-14-10-12(17)13(18)9-11(14)2/h9-10,19H,3-8H2,1-2H3,(H,20,21)
InChIKeyMJIFDFZTOGWWLR-UHFFFAOYSA-N
MW357.27 g/mol
LogP4.01
Rot. Bonds4

About N-(5-bromo-4-fluoro-2-methylphenyl)-4-propylpiperidine-4-carboxamide

N-(5-bromo-4-fluoro-2-methylphenyl)-4-propylpiperidine-4-carboxamide (PubChem CID 107592306) has the molecular formula C16H22BrFN2O and a molecular weight of 357.27 g/mol. Its IUPAC name is N-(5-bromo-4-fluoro-2-methylphenyl)-4-propylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-4-fluoro-2-methylphenyl)-4-propylpiperidine-4-carboxamide
PubChem CID107592306
Molecular FormulaC16H22BrFN2O
Molecular Weight357.27 g/mol
Exact Mass356.09
IUPAC NameN-(5-bromo-4-fluoro-2-methylphenyl)-4-propylpiperidine-4-carboxamide
SMILESCCCC1(C(=O)Nc2cc(Br)c(F)cc2C)CCNCC1
InChIInChI=1S/C16H22BrFN2O/c1-3-4-16(5-7-19-8-6-16)15(21)20-14-10-12(17)13(18)9-11(14)2/h9-10,19H,3-8H2,1-2H3,(H,20,21)
InChIKeyMJIFDFZTOGWWLR-UHFFFAOYSA-N
XLogP4.01
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.27
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromo-2,5-difluorophenyl)-4-ethylpiperidine-4-carboxamide
CID 107611654
1-(aminomethyl)-N-(5-bromo-4-fluoro-2-methylphenyl)cycloheptane-1-carboxamide
CID 107592153
N-(5-cyano-2-methylphenyl)-4-propylpiperidine-4-carboxamide
CID 63129014
N-(4-bromo-2,5-difluorophenyl)-3-ethylpyrrolidine-3-carboxamide
CID 107611749
N-(4-bromo-5-fluoro-2-methylphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106981313
N-(3-fluoro-4-hydroxyphenyl)-4-propylpiperidine-4-carboxamide
CID 64782428
N-(2-bromo-5-chlorophenyl)-3-propylpyrrolidine-3-carboxamide
CID 81271547
N-(4-bromophenyl)-4-propylpiperidine-4-carboxamide
CID 63127331
1-[[(5-bromo-4-fluoro-2-methylphenyl)carbamoylamino]methyl]cyclopropane-1-carboxylic acid
CID 107593195
1-(5-bromo-4-fluoro-2-methylphenyl)-3-propylurea
CID 103274772
N-(5-bromo-4-methyl-2-pyridinyl)-3-propylpyrrolidine-3-carboxamide
CID 79734821
N-(4-hydroxy-2,5-dimethylphenyl)-3-propylpiperidine-3-carboxamide
CID 106954421

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-4-fluoro-2-methylphenyl)-4-propylpiperidine-4-carboxamide?
The IUPAC name of N-(5-bromo-4-fluoro-2-methylphenyl)-4-propylpiperidine-4-carboxamide (CID 107592306) is N-(5-bromo-4-fluoro-2-methylphenyl)-4-propylpiperidine-4-carboxamide.
What is the SMILES notation for N-(5-bromo-4-fluoro-2-methylphenyl)-4-propylpiperidine-4-carboxamide?
The canonical SMILES for N-(5-bromo-4-fluoro-2-methylphenyl)-4-propylpiperidine-4-carboxamide is CCCC1(C(=O)Nc2cc(Br)c(F)cc2C)CCNCC1.
What is the InChIKey of N-(5-bromo-4-fluoro-2-methylphenyl)-4-propylpiperidine-4-carboxamide?
The InChIKey is MJIFDFZTOGWWLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrFN2O/c1-3-4-16(5-7-19-8-6-16)15(21)20-14-10-12(17)13(18)9-11(14)2/h9-10,19H,3-8H2,1-2H3,(H,20,21).
What are the key properties of N-(5-bromo-4-fluoro-2-methylphenyl)-4-propylpiperidine-4-carboxamide?
N-(5-bromo-4-fluoro-2-methylphenyl)-4-propylpiperidine-4-carboxamide has a molecular weight of 357.27 g/mol, XLogP of 4.01, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-4-fluoro-2-methylphenyl)-4-propylpiperidine-4-carboxamide is sourced from PubChem (CID 107592306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).