2-bromo-6-fluoro-N-methyl-N-(piperidin-4-ylmethyl)benzamide

C14H18BrFN2O — CID 114560252

IUPAC2-bromo-6-fluoro-N-methyl-N-(piperidin-4-ylmethyl)benzamide
SMILESCN(CC1CCNCC1)C(=O)c1c(F)cccc1Br
InChIInChI=1S/C14H18BrFN2O/c1-18(9-10-5-7-17-8-6-10)14(19)13-11(15)3-2-4-12(13)16/h2-4,10,17H,5-9H2,1H3
InChIKeyOPBQHJFPCZPSJZ-UHFFFAOYSA-N
MW329.21 g/mol
LogP2.66
Rot. Bonds3

About 2-bromo-6-fluoro-N-methyl-N-(piperidin-4-ylmethyl)benzamide

2-bromo-6-fluoro-N-methyl-N-(piperidin-4-ylmethyl)benzamide (PubChem CID 114560252) has the molecular formula C14H18BrFN2O and a molecular weight of 329.21 g/mol. Its IUPAC name is 2-bromo-6-fluoro-N-methyl-N-(piperidin-4-ylmethyl)benzamide.

Molecular Properties

Compound Name2-bromo-6-fluoro-N-methyl-N-(piperidin-4-ylmethyl)benzamide
PubChem CID114560252
Molecular FormulaC14H18BrFN2O
Molecular Weight329.21 g/mol
Exact Mass328.06
IUPAC Name2-bromo-6-fluoro-N-methyl-N-(piperidin-4-ylmethyl)benzamide
SMILESCN(CC1CCNCC1)C(=O)c1c(F)cccc1Br
InChIInChI=1S/C14H18BrFN2O/c1-18(9-10-5-7-17-8-6-10)14(19)13-11(15)3-2-4-12(13)16/h2-4,10,17H,5-9H2,1H3
InChIKeyOPBQHJFPCZPSJZ-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-fluoro-6-hydroxy-N-methyl-N-(piperidin-4-ylmethyl)benzamide
CID 107015989
2-bromo-6-fluoro-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106607384
2-bromo-N-ethyl-6-fluoro-N-methylbenzamide
CID 115678344
2-fluoro-6-hydroxy-N-methyl-N-(2-piperidin-4-ylethyl)benzamide
CID 107014722
3-bromo-2-fluoro-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide
CID 107956248
2,4-difluoro-N-methyl-N-(piperidin-4-ylmethyl)benzamide
CID 79715450
2-bromo-N-(2-cyanoethyl)-6-fluoro-N-methylbenzamide
CID 115678772
2-bromo-6-fluoro-N-[(2-fluorophenyl)methyl]-N-methylbenzamide
CID 115678174
2-bromo-N-[(2-bromophenyl)methyl]-6-fluoro-N-methylbenzamide
CID 114559308
2-bromo-6-fluoro-N-hydroxy-N-methylbenzamide
CID 130956774
2-bromo-N-(2-chloropropyl)-6-fluoro-N-methylbenzamide
CID 114561002
2-bromo-3-fluoro-N-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 106627953

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-fluoro-N-methyl-N-(piperidin-4-ylmethyl)benzamide?
The IUPAC name of 2-bromo-6-fluoro-N-methyl-N-(piperidin-4-ylmethyl)benzamide (CID 114560252) is 2-bromo-6-fluoro-N-methyl-N-(piperidin-4-ylmethyl)benzamide.
What is the SMILES notation for 2-bromo-6-fluoro-N-methyl-N-(piperidin-4-ylmethyl)benzamide?
The canonical SMILES for 2-bromo-6-fluoro-N-methyl-N-(piperidin-4-ylmethyl)benzamide is CN(CC1CCNCC1)C(=O)c1c(F)cccc1Br.
What is the InChIKey of 2-bromo-6-fluoro-N-methyl-N-(piperidin-4-ylmethyl)benzamide?
The InChIKey is OPBQHJFPCZPSJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrFN2O/c1-18(9-10-5-7-17-8-6-10)14(19)13-11(15)3-2-4-12(13)16/h2-4,10,17H,5-9H2,1H3.
What are the key properties of 2-bromo-6-fluoro-N-methyl-N-(piperidin-4-ylmethyl)benzamide?
2-bromo-6-fluoro-N-methyl-N-(piperidin-4-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-6-fluoro-N-methyl-N-(piperidin-4-ylmethyl)benzamide is sourced from PubChem (CID 114560252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).