4-bromo-2-chloro-N-piperidin-3-yl-N-propylbenzamide

C15H20BrClN2O — CID 63637268

IUPAC4-bromo-2-chloro-N-piperidin-3-yl-N-propylbenzamide
SMILESCCCN(C(=O)c1ccc(Br)cc1Cl)C1CCCNC1
InChIInChI=1S/C15H20BrClN2O/c1-2-8-19(12-4-3-7-18-10-12)15(20)13-6-5-11(16)9-14(13)17/h5-6,9,12,18H,2-4,7-8,10H2,1H3
InChIKeyYAZYIHRIRSXODL-UHFFFAOYSA-N
MW359.70 g/mol
LogP3.71
Rot. Bonds4

About 4-bromo-2-chloro-N-piperidin-3-yl-N-propylbenzamide

4-bromo-2-chloro-N-piperidin-3-yl-N-propylbenzamide (PubChem CID 63637268) has the molecular formula C15H20BrClN2O and a molecular weight of 359.70 g/mol. Its IUPAC name is 4-bromo-2-chloro-N-piperidin-3-yl-N-propylbenzamide.

Molecular Properties

Compound Name4-bromo-2-chloro-N-piperidin-3-yl-N-propylbenzamide
PubChem CID63637268
Molecular FormulaC15H20BrClN2O
Molecular Weight359.70 g/mol
Exact Mass358.04
IUPAC Name4-bromo-2-chloro-N-piperidin-3-yl-N-propylbenzamide
SMILESCCCN(C(=O)c1ccc(Br)cc1Cl)C1CCCNC1
InChIInChI=1S/C15H20BrClN2O/c1-2-8-19(12-4-3-7-18-10-12)15(20)13-6-5-11(16)9-14(13)17/h5-6,9,12,18H,2-4,7-8,10H2,1H3
InChIKeyYAZYIHRIRSXODL-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

2-chloro-4-methyl-N-piperidin-3-yl-N-propylbenzamide
CID 106862150
4-bromo-2-methyl-N-propyl-N-pyrrolidin-3-ylbenzamide
CID 63300963
2,4-dibromo-N-ethyl-N-piperidin-3-ylbenzamide
CID 107939910
5-chloro-2-hydroxy-N-piperidin-3-yl-N-propylbenzamide
CID 63636752
4-bromo-2-chloro-N-cyclohexyl-N-ethylbenzamide
CID 52696658
2-bromo-5-methoxy-N-piperidin-3-yl-N-propylbenzamide
CID 63638310
2-chloro-N-ethyl-N-piperidin-3-ylbenzamide
CID 63638302
2-bromo-4-chloro-N-ethyl-N-piperidin-3-ylbenzamide
CID 107990350
5-fluoro-2-methyl-N-piperidin-3-yl-N-propylbenzamide
CID 63050163
6-methyl-2-oxo-N-piperidin-3-yl-N-propyl-1H-pyridine-3-carboxamide
CID 104772838
2-bromo-5-methyl-N-propyl-N-pyrrolidin-3-ylbenzamide
CID 81112056
2-chloro-6-fluoro-N-piperidin-3-yl-N-propylbenzamide
CID 63636405

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-N-piperidin-3-yl-N-propylbenzamide?
The IUPAC name of 4-bromo-2-chloro-N-piperidin-3-yl-N-propylbenzamide (CID 63637268) is 4-bromo-2-chloro-N-piperidin-3-yl-N-propylbenzamide.
What is the SMILES notation for 4-bromo-2-chloro-N-piperidin-3-yl-N-propylbenzamide?
The canonical SMILES for 4-bromo-2-chloro-N-piperidin-3-yl-N-propylbenzamide is CCCN(C(=O)c1ccc(Br)cc1Cl)C1CCCNC1.
What is the InChIKey of 4-bromo-2-chloro-N-piperidin-3-yl-N-propylbenzamide?
The InChIKey is YAZYIHRIRSXODL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrClN2O/c1-2-8-19(12-4-3-7-18-10-12)15(20)13-6-5-11(16)9-14(13)17/h5-6,9,12,18H,2-4,7-8,10H2,1H3.
What are the key properties of 4-bromo-2-chloro-N-piperidin-3-yl-N-propylbenzamide?
4-bromo-2-chloro-N-piperidin-3-yl-N-propylbenzamide 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-2-chloro-N-piperidin-3-yl-N-propylbenzamide is sourced from PubChem (CID 63637268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).