5-bromo-2-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzamide

C14H18BrFN2O — CID 24690461

IUPAC5-bromo-2-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
SMILESCN1CCC(N(C)C(=O)c2cc(Br)ccc2F)CC1
InChIInChI=1S/C14H18BrFN2O/c1-17-7-5-11(6-8-17)18(2)14(19)12-9-10(15)3-4-13(12)16/h3-4,9,11H,5-8H2,1-2H3
InChIKeyMFBZCVRRGVTPTL-UHFFFAOYSA-N
MW329.21 g/mol
LogP2.75
Rot. Bonds2

About 5-bromo-2-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzamide

5-bromo-2-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzamide (PubChem CID 24690461) has the molecular formula C14H18BrFN2O and a molecular weight of 329.21 g/mol. Its IUPAC name is 5-bromo-2-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name5-bromo-2-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
PubChem CID24690461
Molecular FormulaC14H18BrFN2O
Molecular Weight329.21 g/mol
Exact Mass328.06
IUPAC Name5-bromo-2-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
SMILESCN1CCC(N(C)C(=O)c2cc(Br)ccc2F)CC1
InChIInChI=1S/C14H18BrFN2O/c1-17-7-5-11(6-8-17)18(2)14(19)12-9-10(15)3-4-13(12)16/h3-4,9,11H,5-8H2,1-2H3
InChIKeyMFBZCVRRGVTPTL-UHFFFAOYSA-N
XLogP2.75
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.21
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)-5-sulfanylbenzamide
CID 107020927
2-bromo-5-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 24705868
5-bromo-2-fluoro-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 47080623
3,5-dibromo-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 113349444
5-chloro-N-cyclobutyl-2-fluoro-N-methylbenzamide
CID 115649144
2-(4-bromobenzoyl)-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 112811335
4-bromo-2-fluoro-N-methyl-N-(4-oxocyclohexyl)benzamide
CID 79120141
5-bromo-2-fluorobenzoic acid;5-bromo-2-fluoro-N,N-dimethylbenzamide
CID 158616981
(5-bromo-2-fluorophenyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 63184756
2-fluoro-N,5-dimethyl-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 62510083
2,5-difluoro-N-methyl-N-(4-oxocyclohexyl)benzamide
CID 79120708
N-cyclohexyl-2-fluoro-N,5-dimethylbenzamide
CID 62510377

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzamide?
The IUPAC name of 5-bromo-2-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzamide (CID 24690461) is 5-bromo-2-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzamide.
What is the SMILES notation for 5-bromo-2-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzamide?
The canonical SMILES for 5-bromo-2-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzamide is CN1CCC(N(C)C(=O)c2cc(Br)ccc2F)CC1.
What is the InChIKey of 5-bromo-2-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzamide?
The InChIKey is MFBZCVRRGVTPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrFN2O/c1-17-7-5-11(6-8-17)18(2)14(19)12-9-10(15)3-4-13(12)16/h3-4,9,11H,5-8H2,1-2H3.
What are the key properties of 5-bromo-2-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzamide?
5-bromo-2-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzamide has a molecular weight of 329.21 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzamide is sourced from PubChem (CID 24690461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).