3-bromo-4-chloro-N-(2-methyl-3-piperidin-1-ylpropyl)benzamide

C16H22BrClN2O — CID 107999448

IUPAC3-bromo-4-chloro-N-(2-methyl-3-piperidin-1-ylpropyl)benzamide
SMILESCC(CNC(=O)c1ccc(Cl)c(Br)c1)CN1CCCCC1
InChIInChI=1S/C16H22BrClN2O/c1-12(11-20-7-3-2-4-8-20)10-19-16(21)13-5-6-15(18)14(17)9-13/h5-6,9,12H,2-4,7-8,10-11H2,1H3,(H,19,21)
InChIKeyMUGHULDFVAMHNF-UHFFFAOYSA-N
MW373.72 g/mol
LogP3.95
Rot. Bonds5

About 3-bromo-4-chloro-N-(2-methyl-3-piperidin-1-ylpropyl)benzamide

3-bromo-4-chloro-N-(2-methyl-3-piperidin-1-ylpropyl)benzamide (PubChem CID 107999448) has the molecular formula C16H22BrClN2O and a molecular weight of 373.72 g/mol. Its IUPAC name is 3-bromo-4-chloro-N-(2-methyl-3-piperidin-1-ylpropyl)benzamide.

Molecular Properties

Compound Name3-bromo-4-chloro-N-(2-methyl-3-piperidin-1-ylpropyl)benzamide
PubChem CID107999448
Molecular FormulaC16H22BrClN2O
Molecular Weight373.72 g/mol
Exact Mass372.06
IUPAC Name3-bromo-4-chloro-N-(2-methyl-3-piperidin-1-ylpropyl)benzamide
SMILESCC(CNC(=O)c1ccc(Cl)c(Br)c1)CN1CCCCC1
InChIInChI=1S/C16H22BrClN2O/c1-12(11-20-7-3-2-4-8-20)10-19-16(21)13-5-6-15(18)14(17)9-13/h5-6,9,12H,2-4,7-8,10-11H2,1H3,(H,19,21)
InChIKeyMUGHULDFVAMHNF-UHFFFAOYSA-N
XLogP3.95
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.72
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-3-chloro-N-(2-methyl-3-piperidin-1-ylpropyl)benzamide
CID 81295079
3,4-dichloro-N-(2-methyl-3-morpholin-4-ylpropyl)benzamide
CID 110444164
5-bromo-N-(2-methyl-3-piperidin-1-ylpropyl)thiophene-3-carboxamide
CID 54907003
5-bromo-N-(2-methyl-3-pyrrolidin-1-ylpropyl)thiophene-3-carboxamide
CID 61061664
3-hydroxy-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide
CID 62992034
3-bromo-4-chloro-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 103841452
3-fluoro-4-methoxy-N-(2-methyl-3-piperidin-1-ylpropyl)benzamide
CID 86824610
3,5-dihydroxy-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide
CID 103892120
2-amino-5-chloro-N-(2-methyl-3-piperidin-1-ylpropyl)benzamide
CID 61139853
2-fluoro-N-(2-methyl-3-piperidin-1-ylpropyl)pyridine-4-carboxamide
CID 61292554
N-(2-methyl-3-pyrrolidin-1-ylpropyl)-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide
CID 55879251
4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide
CID 55879882

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chloro-N-(2-methyl-3-piperidin-1-ylpropyl)benzamide?
The IUPAC name of 3-bromo-4-chloro-N-(2-methyl-3-piperidin-1-ylpropyl)benzamide (CID 107999448) is 3-bromo-4-chloro-N-(2-methyl-3-piperidin-1-ylpropyl)benzamide.
What is the SMILES notation for 3-bromo-4-chloro-N-(2-methyl-3-piperidin-1-ylpropyl)benzamide?
The canonical SMILES for 3-bromo-4-chloro-N-(2-methyl-3-piperidin-1-ylpropyl)benzamide is CC(CNC(=O)c1ccc(Cl)c(Br)c1)CN1CCCCC1.
What is the InChIKey of 3-bromo-4-chloro-N-(2-methyl-3-piperidin-1-ylpropyl)benzamide?
The InChIKey is MUGHULDFVAMHNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrClN2O/c1-12(11-20-7-3-2-4-8-20)10-19-16(21)13-5-6-15(18)14(17)9-13/h5-6,9,12H,2-4,7-8,10-11H2,1H3,(H,19,21).
What are the key properties of 3-bromo-4-chloro-N-(2-methyl-3-piperidin-1-ylpropyl)benzamide?
3-bromo-4-chloro-N-(2-methyl-3-piperidin-1-ylpropyl)benzamide has a molecular weight of 373.72 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-chloro-N-(2-methyl-3-piperidin-1-ylpropyl)benzamide is sourced from PubChem (CID 107999448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).