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

C15H20BrClN2O — CID 80973531

IUPAC4-bromo-3-chloro-N-(2-piperidin-1-ylpropyl)benzamide
SMILESCC(CNC(=O)c1ccc(Br)c(Cl)c1)N1CCCCC1
InChIInChI=1S/C15H20BrClN2O/c1-11(19-7-3-2-4-8-19)10-18-15(20)12-5-6-13(16)14(17)9-12/h5-6,9,11H,2-4,7-8,10H2,1H3,(H,18,20)
InChIKeyLFFNDVWFBNYCIM-UHFFFAOYSA-N
MW359.70 g/mol
LogP3.71
Rot. Bonds4

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

4-bromo-3-chloro-N-(2-piperidin-1-ylpropyl)benzamide (PubChem CID 80973531) has the molecular formula C15H20BrClN2O and a molecular weight of 359.70 g/mol. Its IUPAC name is 4-bromo-3-chloro-N-(2-piperidin-1-ylpropyl)benzamide.

Molecular Properties

Compound Name4-bromo-3-chloro-N-(2-piperidin-1-ylpropyl)benzamide
PubChem CID80973531
Molecular FormulaC15H20BrClN2O
Molecular Weight359.70 g/mol
Exact Mass358.04
IUPAC Name4-bromo-3-chloro-N-(2-piperidin-1-ylpropyl)benzamide
SMILESCC(CNC(=O)c1ccc(Br)c(Cl)c1)N1CCCCC1
InChIInChI=1S/C15H20BrClN2O/c1-11(19-7-3-2-4-8-19)10-18-15(20)12-5-6-13(16)14(17)9-12/h5-6,9,11H,2-4,7-8,10H2,1H3,(H,18,20)
InChIKeyLFFNDVWFBNYCIM-UHFFFAOYSA-N
XLogP3.71
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.70
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-4-bromo-N-(2-piperidin-1-ylpropyl)benzamide
CID 61140955
4-bromo-3-chloro-N-(2-methyl-3-piperidin-1-ylpropyl)benzamide
CID 81295079
4-chloro-N-(2-pyrrolidin-1-ylpropyl)benzamide
CID 47187389
3-bromo-N-[(2R)-2-pyrrolidin-1-ylpropyl]benzamide
CID 51710424
2-bromo-N-(2-piperidin-1-ylpropyl)pyridine-4-carboxamide
CID 103754766
4-bromo-3-chloro-N-(3-chloro-2-methylpropyl)benzamide
CID 114302596
4-bromo-3-chloro-N-(2-methylbutyl)benzamide
CID 81308083
4-bromo-3-chloro-N-(2-cyanopropyl)benzamide
CID 81002442
3-phenyl-N-(2-piperidin-1-ylpropyl)benzamide
CID 112502353
3-bromo-4-chloro-N-(2-methyl-3-piperidin-1-ylpropyl)benzamide
CID 107999448
N-(2-pyrrolidin-1-ylpropyl)-1H-indole-6-carboxamide
CID 78975173
4-phenyl-N-[(2S)-2-pyrrolidin-1-ylpropyl]benzamide
CID 93157618

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-chloro-N-(2-piperidin-1-ylpropyl)benzamide?
The IUPAC name of 4-bromo-3-chloro-N-(2-piperidin-1-ylpropyl)benzamide (CID 80973531) is 4-bromo-3-chloro-N-(2-piperidin-1-ylpropyl)benzamide.
What is the SMILES notation for 4-bromo-3-chloro-N-(2-piperidin-1-ylpropyl)benzamide?
The canonical SMILES for 4-bromo-3-chloro-N-(2-piperidin-1-ylpropyl)benzamide is CC(CNC(=O)c1ccc(Br)c(Cl)c1)N1CCCCC1.
What is the InChIKey of 4-bromo-3-chloro-N-(2-piperidin-1-ylpropyl)benzamide?
The InChIKey is LFFNDVWFBNYCIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrClN2O/c1-11(19-7-3-2-4-8-19)10-18-15(20)12-5-6-13(16)14(17)9-12/h5-6,9,11H,2-4,7-8,10H2,1H3,(H,18,20).
What are the key properties of 4-bromo-3-chloro-N-(2-piperidin-1-ylpropyl)benzamide?
4-bromo-3-chloro-N-(2-piperidin-1-ylpropyl)benzamide has a molecular weight of 359.70 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-chloro-N-(2-piperidin-1-ylpropyl)benzamide is sourced from PubChem (CID 80973531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).