2-bromo-3-fluoro-N-methyl-N-(piperidin-3-ylmethyl)benzamide

C14H18BrFN2O — CID 106627953

IUPAC2-bromo-3-fluoro-N-methyl-N-(piperidin-3-ylmethyl)benzamide
SMILESCN(CC1CCCNC1)C(=O)c1cccc(F)c1Br
InChIInChI=1S/C14H18BrFN2O/c1-18(9-10-4-3-7-17-8-10)14(19)11-5-2-6-12(16)13(11)15/h2,5-6,10,17H,3-4,7-9H2,1H3
InChIKeyKMFIZIXUBZLLJF-UHFFFAOYSA-N
MW329.21 g/mol
LogP2.66
Rot. Bonds3

About 2-bromo-3-fluoro-N-methyl-N-(piperidin-3-ylmethyl)benzamide

2-bromo-3-fluoro-N-methyl-N-(piperidin-3-ylmethyl)benzamide (PubChem CID 106627953) has the molecular formula C14H18BrFN2O and a molecular weight of 329.21 g/mol. Its IUPAC name is 2-bromo-3-fluoro-N-methyl-N-(piperidin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name2-bromo-3-fluoro-N-methyl-N-(piperidin-3-ylmethyl)benzamide
PubChem CID106627953
Molecular FormulaC14H18BrFN2O
Molecular Weight329.21 g/mol
Exact Mass328.06
IUPAC Name2-bromo-3-fluoro-N-methyl-N-(piperidin-3-ylmethyl)benzamide
SMILESCN(CC1CCCNC1)C(=O)c1cccc(F)c1Br
InChIInChI=1S/C14H18BrFN2O/c1-18(9-10-4-3-7-17-8-10)14(19)11-5-2-6-12(16)13(11)15/h2,5-6,10,17H,3-4,7-9H2,1H3
InChIKeyKMFIZIXUBZLLJF-UHFFFAOYSA-N
XLogP2.66
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.21
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N,3-dimethyl-N-(piperidin-3-ylmethyl)benzamide
CID 107983274
2-fluoro-N,3-dimethyl-N-(piperidin-3-ylmethyl)benzamide
CID 106627734
2-fluoro-N,5-dimethyl-N-(piperidin-3-ylmethyl)benzamide
CID 106628063
2,4-dibromo-N-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 107940298
2-chloro-N-ethyl-3-fluoro-N-(piperidin-3-ylmethyl)benzamide
CID 106629488
5-fluoro-N,2-dimethyl-N-(piperidin-3-ylmethyl)benzamide
CID 106627610
2-fluoro-N-(piperidin-3-ylmethyl)-N-propylbenzamide
CID 106628436
2-(2-bromophenyl)-N-methyl-N-(piperidin-3-ylmethyl)acetamide
CID 84606471
4-chloro-3-fluoro-N-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 107990969
3-bromo-2-fluoro-N-(piperidin-3-ylmethyl)-N-propan-2-ylbenzamide
CID 107956383
5-bromo-N-methyl-N-(piperidin-3-ylmethyl)thiophene-3-carboxamide
CID 114021534
2-chloro-5-hydroxy-N-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 106627741

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-fluoro-N-methyl-N-(piperidin-3-ylmethyl)benzamide?
The IUPAC name of 2-bromo-3-fluoro-N-methyl-N-(piperidin-3-ylmethyl)benzamide (CID 106627953) is 2-bromo-3-fluoro-N-methyl-N-(piperidin-3-ylmethyl)benzamide.
What is the SMILES notation for 2-bromo-3-fluoro-N-methyl-N-(piperidin-3-ylmethyl)benzamide?
The canonical SMILES for 2-bromo-3-fluoro-N-methyl-N-(piperidin-3-ylmethyl)benzamide is CN(CC1CCCNC1)C(=O)c1cccc(F)c1Br.
What is the InChIKey of 2-bromo-3-fluoro-N-methyl-N-(piperidin-3-ylmethyl)benzamide?
The InChIKey is KMFIZIXUBZLLJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrFN2O/c1-18(9-10-4-3-7-17-8-10)14(19)11-5-2-6-12(16)13(11)15/h2,5-6,10,17H,3-4,7-9H2,1H3.
What are the key properties of 2-bromo-3-fluoro-N-methyl-N-(piperidin-3-ylmethyl)benzamide?
2-bromo-3-fluoro-N-methyl-N-(piperidin-3-ylmethyl)benzamide has a molecular weight of 329.21 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-fluoro-N-methyl-N-(piperidin-3-ylmethyl)benzamide is sourced from PubChem (CID 106627953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).