2-bromo-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-5-fluorobenzamide

C17H24BrFN2O — CID 47038122

IUPAC2-bromo-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-5-fluorobenzamide
SMILESCC1CC(C)CN(CCCNC(=O)c2cc(F)ccc2Br)C1
InChIInChI=1S/C17H24BrFN2O/c1-12-8-13(2)11-21(10-12)7-3-6-20-17(22)15-9-14(19)4-5-16(15)18/h4-5,9,12-13H,3,6-8,10-11H2,1-2H3,(H,20,22)
InChIKeyYLTGEQKHQFLOPE-UHFFFAOYSA-N
MW371.29 g/mol
LogP3.69
Rot. Bonds5

About 2-bromo-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-5-fluorobenzamide

2-bromo-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-5-fluorobenzamide (PubChem CID 47038122) has the molecular formula C17H24BrFN2O and a molecular weight of 371.29 g/mol. Its IUPAC name is 2-bromo-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-5-fluorobenzamide.

Molecular Properties

Compound Name2-bromo-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-5-fluorobenzamide
PubChem CID47038122
Molecular FormulaC17H24BrFN2O
Molecular Weight371.29 g/mol
Exact Mass370.11
IUPAC Name2-bromo-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-5-fluorobenzamide
SMILESCC1CC(C)CN(CCCNC(=O)c2cc(F)ccc2Br)C1
InChIInChI=1S/C17H24BrFN2O/c1-12-8-13(2)11-21(10-12)7-3-6-20-17(22)15-9-14(19)4-5-16(15)18/h4-5,9,12-13H,3,6-8,10-11H2,1-2H3,(H,20,22)
InChIKeyYLTGEQKHQFLOPE-UHFFFAOYSA-N
XLogP3.69
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.29
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-5-fluorobenzamide
CID 51947889
N-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propyl]-2,5-dimethylbenzamide
CID 100532484
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide
CID 55735231
2-bromo-5-fluoro-N-[2-(methanesulfonamido)ethyl]benzamide
CID 36907101
2-bromo-4-fluoro-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 60668704
2-bromo-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-fluorobenzamide
CID 51217423
2-bromo-5-fluoro-N-(2-methoxyethyl)benzamide
CID 24703783
2-bromo-N-(5-bromopentyl)-5-fluorobenzamide
CID 107322000
4-chloro-N-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]ethyl]-2-fluorobenzamide
CID 51947867
2-bromo-5-fluoro-N-(3-pyrazol-1-ylpropyl)benzamide
CID 37393425
2-bromo-5-fluoro-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]benzamide
CID 61017183
N-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propyl]-2-oxo-1H-quinoline-3-carboxamide
CID 94812474

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-5-fluorobenzamide?
The IUPAC name of 2-bromo-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-5-fluorobenzamide (CID 47038122) is 2-bromo-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-5-fluorobenzamide.
What is the SMILES notation for 2-bromo-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-5-fluorobenzamide?
The canonical SMILES for 2-bromo-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-5-fluorobenzamide is CC1CC(C)CN(CCCNC(=O)c2cc(F)ccc2Br)C1.
What is the InChIKey of 2-bromo-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-5-fluorobenzamide?
The InChIKey is YLTGEQKHQFLOPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrFN2O/c1-12-8-13(2)11-21(10-12)7-3-6-20-17(22)15-9-14(19)4-5-16(15)18/h4-5,9,12-13H,3,6-8,10-11H2,1-2H3,(H,20,22).
What are the key properties of 2-bromo-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-5-fluorobenzamide?
2-bromo-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-5-fluorobenzamide has a molecular weight of 371.29 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-5-fluorobenzamide is sourced from PubChem (CID 47038122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).