2-bromo-4-fluoro-N-methyl-N-piperidin-3-ylbenzamide

C13H16BrFN2O — CID 63641753

IUPAC2-bromo-4-fluoro-N-methyl-N-piperidin-3-ylbenzamide
SMILESCN(C(=O)c1ccc(F)cc1Br)C1CCCNC1
InChIInChI=1S/C13H16BrFN2O/c1-17(10-3-2-6-16-8-10)13(18)11-5-4-9(15)7-12(11)14/h4-5,7,10,16H,2-3,6,8H2,1H3
InChIKeyVDDOEIAHZIPVEM-UHFFFAOYSA-N
MW315.19 g/mol
LogP2.41
Rot. Bonds2

About 2-bromo-4-fluoro-N-methyl-N-piperidin-3-ylbenzamide

2-bromo-4-fluoro-N-methyl-N-piperidin-3-ylbenzamide (PubChem CID 63641753) has the molecular formula C13H16BrFN2O and a molecular weight of 315.19 g/mol. Its IUPAC name is 2-bromo-4-fluoro-N-methyl-N-piperidin-3-ylbenzamide.

Molecular Properties

Compound Name2-bromo-4-fluoro-N-methyl-N-piperidin-3-ylbenzamide
PubChem CID63641753
Molecular FormulaC13H16BrFN2O
Molecular Weight315.19 g/mol
Exact Mass314.04
IUPAC Name2-bromo-4-fluoro-N-methyl-N-piperidin-3-ylbenzamide
SMILESCN(C(=O)c1ccc(F)cc1Br)C1CCCNC1
InChIInChI=1S/C13H16BrFN2O/c1-17(10-3-2-6-16-8-10)13(18)11-5-4-9(15)7-12(11)14/h4-5,7,10,16H,2-3,6,8H2,1H3
InChIKeyVDDOEIAHZIPVEM-UHFFFAOYSA-N
XLogP2.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.19
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-fluoro-N,2-dimethyl-N-piperidin-3-ylbenzamide
CID 55228435
2,4-dibromo-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 114018493
4-bromo-2-methoxy-N-methyl-N-piperidin-3-ylbenzamide
CID 115369622
N,2,4-trimethyl-N-piperidin-3-ylbenzamide
CID 60807214
2-bromo-4-fluoro-N-methyl-N-(oxan-4-yl)benzamide
CID 43611231
2-bromo-5-fluoro-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119444450
3-bromo-N,4-dimethyl-N-piperidin-3-ylbenzamide
CID 81476273
2-bromo-4-fluoro-N-methyl-N-(oxolan-3-yl)benzamide
CID 78947672
2,6-difluoro-N-methyl-N-piperidin-3-ylbenzamide
CID 60806728
2,4-dibromo-N-ethyl-N-piperidin-3-ylbenzamide
CID 107939910
3-fluoro-N,4-dimethyl-N-piperidin-3-ylbenzamide
CID 60807217
5-fluoro-N-methyl-N-piperidin-3-ylpyridine-3-carboxamide
CID 104786200

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-fluoro-N-methyl-N-piperidin-3-ylbenzamide?
The IUPAC name of 2-bromo-4-fluoro-N-methyl-N-piperidin-3-ylbenzamide (CID 63641753) is 2-bromo-4-fluoro-N-methyl-N-piperidin-3-ylbenzamide.
What is the SMILES notation for 2-bromo-4-fluoro-N-methyl-N-piperidin-3-ylbenzamide?
The canonical SMILES for 2-bromo-4-fluoro-N-methyl-N-piperidin-3-ylbenzamide is CN(C(=O)c1ccc(F)cc1Br)C1CCCNC1.
What is the InChIKey of 2-bromo-4-fluoro-N-methyl-N-piperidin-3-ylbenzamide?
The InChIKey is VDDOEIAHZIPVEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrFN2O/c1-17(10-3-2-6-16-8-10)13(18)11-5-4-9(15)7-12(11)14/h4-5,7,10,16H,2-3,6,8H2,1H3.
What are the key properties of 2-bromo-4-fluoro-N-methyl-N-piperidin-3-ylbenzamide?
2-bromo-4-fluoro-N-methyl-N-piperidin-3-ylbenzamide has a molecular weight of 315.19 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-fluoro-N-methyl-N-piperidin-3-ylbenzamide is sourced from PubChem (CID 63641753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).