4-bromo-3-fluoro-N-methyl-N-(1-methylpiperidin-3-yl)benzamide

C14H18BrFN2O — CID 62546980

IUPAC4-bromo-3-fluoro-N-methyl-N-(1-methylpiperidin-3-yl)benzamide
SMILESCN1CCCC(N(C)C(=O)c2ccc(Br)c(F)c2)C1
InChIInChI=1S/C14H18BrFN2O/c1-17-7-3-4-11(9-17)18(2)14(19)10-5-6-12(15)13(16)8-10/h5-6,8,11H,3-4,7,9H2,1-2H3
InChIKeyDZBFZOXKZYJMOT-UHFFFAOYSA-N
MW329.21 g/mol
LogP2.75
Rot. Bonds2

About 4-bromo-3-fluoro-N-methyl-N-(1-methylpiperidin-3-yl)benzamide

4-bromo-3-fluoro-N-methyl-N-(1-methylpiperidin-3-yl)benzamide (PubChem CID 62546980) has the molecular formula C14H18BrFN2O and a molecular weight of 329.21 g/mol. Its IUPAC name is 4-bromo-3-fluoro-N-methyl-N-(1-methylpiperidin-3-yl)benzamide.

Molecular Properties

Compound Name4-bromo-3-fluoro-N-methyl-N-(1-methylpiperidin-3-yl)benzamide
PubChem CID62546980
Molecular FormulaC14H18BrFN2O
Molecular Weight329.21 g/mol
Exact Mass328.06
IUPAC Name4-bromo-3-fluoro-N-methyl-N-(1-methylpiperidin-3-yl)benzamide
SMILESCN1CCCC(N(C)C(=O)c2ccc(Br)c(F)c2)C1
InChIInChI=1S/C14H18BrFN2O/c1-17-7-3-4-11(9-17)18(2)14(19)10-5-6-12(15)13(16)8-10/h5-6,8,11H,3-4,7,9H2,1-2H3
InChIKeyDZBFZOXKZYJMOT-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

4-bromo-3-hydroxy-N-methyl-N-(1-methylpiperidin-3-yl)benzamide
CID 103873474
4-bromo-3-fluoro-N-(1-methylpiperidin-3-yl)benzamide
CID 47422175
4-bromo-3-fluoro-N-methyl-N-(oxolan-3-yl)benzamide
CID 78947766
3-carbamothioyl-N-methyl-N-(1-methylpiperidin-3-yl)benzamide
CID 62547513
4-amino-N-methyl-N-(1-methylpiperidin-3-yl)-3-nitrobenzamide
CID 62540889
4-chloro-2-hydroxy-N-methyl-N-(1-methylpiperidin-3-yl)benzamide
CID 62546983
4-(2-chloropropanoylamino)-N-methyl-N-(1-methylpiperidin-3-yl)benzamide
CID 146086120
4-[[(2R)-2-aminopropanoyl]amino]-N-methyl-N-(1-methylpiperidin-3-yl)benzamide
CID 119890915
4-tert-butyl-N-methyl-N-(1-methylpyrrolidin-3-yl)benzamide
CID 121450358
4-[(1-aminocyclopropanecarbonyl)amino]-N-methyl-N-(1-methylpiperidin-3-yl)benzamide
CID 119890887
2-bromo-N,2-dimethyl-N-(1-methylpiperidin-3-yl)propanamide
CID 114328609
6-[methyl-(1-methylpiperidin-3-yl)carbamoyl]pyridine-2-carboxylic acid
CID 62546139

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-fluoro-N-methyl-N-(1-methylpiperidin-3-yl)benzamide?
The IUPAC name of 4-bromo-3-fluoro-N-methyl-N-(1-methylpiperidin-3-yl)benzamide (CID 62546980) is 4-bromo-3-fluoro-N-methyl-N-(1-methylpiperidin-3-yl)benzamide.
What is the SMILES notation for 4-bromo-3-fluoro-N-methyl-N-(1-methylpiperidin-3-yl)benzamide?
The canonical SMILES for 4-bromo-3-fluoro-N-methyl-N-(1-methylpiperidin-3-yl)benzamide is CN1CCCC(N(C)C(=O)c2ccc(Br)c(F)c2)C1.
What is the InChIKey of 4-bromo-3-fluoro-N-methyl-N-(1-methylpiperidin-3-yl)benzamide?
The InChIKey is DZBFZOXKZYJMOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrFN2O/c1-17-7-3-4-11(9-17)18(2)14(19)10-5-6-12(15)13(16)8-10/h5-6,8,11H,3-4,7,9H2,1-2H3.
What are the key properties of 4-bromo-3-fluoro-N-methyl-N-(1-methylpiperidin-3-yl)benzamide?
4-bromo-3-fluoro-N-methyl-N-(1-methylpiperidin-3-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 4-bromo-3-fluoro-N-methyl-N-(1-methylpiperidin-3-yl)benzamide is sourced from PubChem (CID 62546980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).