3-bromo-5-fluoro-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide

C16H22BrFN2O — CID 106626571

IUPAC3-bromo-5-fluoro-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide
SMILESCC(C)N(CC1CCCCN1)C(=O)c1cc(F)cc(Br)c1
InChIInChI=1S/C16H22BrFN2O/c1-11(2)20(10-15-5-3-4-6-19-15)16(21)12-7-13(17)9-14(18)8-12/h7-9,11,15,19H,3-6,10H2,1-2H3
InChIKeyYVHUVDCSTUGHQP-UHFFFAOYSA-N
MW357.27 g/mol
LogP3.58
Rot. Bonds4

About 3-bromo-5-fluoro-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide

3-bromo-5-fluoro-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide (PubChem CID 106626571) has the molecular formula C16H22BrFN2O and a molecular weight of 357.27 g/mol. Its IUPAC name is 3-bromo-5-fluoro-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name3-bromo-5-fluoro-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide
PubChem CID106626571
Molecular FormulaC16H22BrFN2O
Molecular Weight357.27 g/mol
Exact Mass356.09
IUPAC Name3-bromo-5-fluoro-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide
SMILESCC(C)N(CC1CCCCN1)C(=O)c1cc(F)cc(Br)c1
InChIInChI=1S/C16H22BrFN2O/c1-11(2)20(10-15-5-3-4-6-19-15)16(21)12-7-13(17)9-14(18)8-12/h7-9,11,15,19H,3-6,10H2,1-2H3
InChIKeyYVHUVDCSTUGHQP-UHFFFAOYSA-N
XLogP3.58
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.27
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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3-bromo-N-(4-phenylbutyl)benzamide
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CID 7696510

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-fluoro-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide?
The IUPAC name of 3-bromo-5-fluoro-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide (CID 106626571) is 3-bromo-5-fluoro-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide.
What is the SMILES notation for 3-bromo-5-fluoro-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide?
The canonical SMILES for 3-bromo-5-fluoro-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide is CC(C)N(CC1CCCCN1)C(=O)c1cc(F)cc(Br)c1.
What is the InChIKey of 3-bromo-5-fluoro-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide?
The InChIKey is YVHUVDCSTUGHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrFN2O/c1-11(2)20(10-15-5-3-4-6-19-15)16(21)12-7-13(17)9-14(18)8-12/h7-9,11,15,19H,3-6,10H2,1-2H3.
What are the key properties of 3-bromo-5-fluoro-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide?
3-bromo-5-fluoro-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide has a molecular weight of 357.27 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-fluoro-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide is sourced from PubChem (CID 106626571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).