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

C13H16BrFN2O — CID 47422175

IUPAC4-bromo-3-fluoro-N-(1-methylpiperidin-3-yl)benzamide
SMILESCN1CCCC(NC(=O)c2ccc(Br)c(F)c2)C1
InChIInChI=1S/C13H16BrFN2O/c1-17-6-2-3-10(8-17)16-13(18)9-4-5-11(14)12(15)7-9/h4-5,7,10H,2-3,6,8H2,1H3,(H,16,18)
InChIKeyDCINVIQHGRPJHP-UHFFFAOYSA-N
MW315.19 g/mol
LogP2.41
Rot. Bonds2

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

4-bromo-3-fluoro-N-(1-methylpiperidin-3-yl)benzamide (PubChem CID 47422175) has the molecular formula C13H16BrFN2O and a molecular weight of 315.19 g/mol. Its IUPAC name is 4-bromo-3-fluoro-N-(1-methylpiperidin-3-yl)benzamide.

Molecular Properties

Compound Name4-bromo-3-fluoro-N-(1-methylpiperidin-3-yl)benzamide
PubChem CID47422175
Molecular FormulaC13H16BrFN2O
Molecular Weight315.19 g/mol
Exact Mass314.04
IUPAC Name4-bromo-3-fluoro-N-(1-methylpiperidin-3-yl)benzamide
SMILESCN1CCCC(NC(=O)c2ccc(Br)c(F)c2)C1
InChIInChI=1S/C13H16BrFN2O/c1-17-6-2-3-10(8-17)16-13(18)9-4-5-11(14)12(15)7-9/h4-5,7,10H,2-3,6,8H2,1H3,(H,16,18)
InChIKeyDCINVIQHGRPJHP-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

3-bromo-4-fluoro-N-(1-methylpiperidin-3-yl)benzamide
CID 103707349
3-amino-4-methyl-N-(1-methylpiperidin-3-yl)benzamide
CID 61211762
4-bromo-3-fluoro-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide
CID 65472784
4-bromo-3-fluoro-N-[4-(methylamino)cyclohexyl]benzamide
CID 79110825
[2-amino-5-[(1-methylpiperidin-3-yl)carbamoyl]phenyl] carbamate
CID 150279764
N-(1-methylpiperidin-3-yl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998661
3-chloro-N-(1-methylpiperidin-3-yl)benzamide
CID 77452165
4-amino-3-methoxy-N-[(3S)-1-methylpiperidin-3-yl]benzamide
CID 89186292
2,4-dibromo-N-(1-methylpiperidin-3-yl)benzamide
CID 103882624
N-(azepan-4-yl)-4-bromo-3-fluorobenzamide
CID 105059141
4-bromo-3-fluoro-N-methyl-N-(1-methylpiperidin-3-yl)benzamide
CID 62546980
3,5-difluoro-4-(methylamino)-N-(1-methylpyrrolidin-3-yl)benzamide
CID 63185967

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-fluoro-N-(1-methylpiperidin-3-yl)benzamide?
The IUPAC name of 4-bromo-3-fluoro-N-(1-methylpiperidin-3-yl)benzamide (CID 47422175) is 4-bromo-3-fluoro-N-(1-methylpiperidin-3-yl)benzamide.
What is the SMILES notation for 4-bromo-3-fluoro-N-(1-methylpiperidin-3-yl)benzamide?
The canonical SMILES for 4-bromo-3-fluoro-N-(1-methylpiperidin-3-yl)benzamide is CN1CCCC(NC(=O)c2ccc(Br)c(F)c2)C1.
What is the InChIKey of 4-bromo-3-fluoro-N-(1-methylpiperidin-3-yl)benzamide?
The InChIKey is DCINVIQHGRPJHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrFN2O/c1-17-6-2-3-10(8-17)16-13(18)9-4-5-11(14)12(15)7-9/h4-5,7,10H,2-3,6,8H2,1H3,(H,16,18).
What are the key properties of 4-bromo-3-fluoro-N-(1-methylpiperidin-3-yl)benzamide?
4-bromo-3-fluoro-N-(1-methylpiperidin-3-yl)benzamide 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 4-bromo-3-fluoro-N-(1-methylpiperidin-3-yl)benzamide is sourced from PubChem (CID 47422175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).