2-bromo-4-chloro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzamide

C14H16BrClN2O — CID 103765484

IUPAC2-bromo-4-chloro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzamide
SMILESO=C(NC1CCN2CCCC12)c1ccc(Cl)cc1Br
InChIInChI=1S/C14H16BrClN2O/c15-11-8-9(16)3-4-10(11)14(19)17-12-5-7-18-6-1-2-13(12)18/h3-4,8,12-13H,1-2,5-7H2,(H,17,19)
InChIKeyFYDDUZVEMOFEMC-UHFFFAOYSA-N
MW343.65 g/mol
LogP3.07
Rot. Bonds2

About 2-bromo-4-chloro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzamide

2-bromo-4-chloro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzamide (PubChem CID 103765484) has the molecular formula C14H16BrClN2O and a molecular weight of 343.65 g/mol. Its IUPAC name is 2-bromo-4-chloro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzamide.

Molecular Properties

Compound Name2-bromo-4-chloro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzamide
PubChem CID103765484
Molecular FormulaC14H16BrClN2O
Molecular Weight343.65 g/mol
Exact Mass342.01
IUPAC Name2-bromo-4-chloro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzamide
SMILESO=C(NC1CCN2CCCC12)c1ccc(Cl)cc1Br
InChIInChI=1S/C14H16BrClN2O/c15-11-8-9(16)3-4-10(11)14(19)17-12-5-7-18-6-1-2-13(12)18/h3-4,8,12-13H,1-2,5-7H2,(H,17,19)
InChIKeyFYDDUZVEMOFEMC-UHFFFAOYSA-N
XLogP3.07
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.65
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-bromo-4-chloro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzamide with MolForge

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Related Compounds

3-bromo-2-chloro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzamide
CID 113363104
5-chloro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-nitrobenzamide
CID 61040504
N-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-4-chloro-2-nitrobenzamide
CID 94869858
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-bromo-4-chlorobenzamide
CID 107988022
2-fluoro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-methylbenzamide
CID 79795341
2-bromo-4-chloro-N-(2-imidazol-1-ylcyclopentyl)benzamide
CID 103763911
N-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-chlorobenzamide
CID 94121435
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-chloro-5-hydroxybenzamide
CID 106501584
2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylcarbamoyl)benzoic acid
CID 60941055
2-bromo-4-chloro-N-(2-methylpiperidin-3-yl)benzamide
CID 106813439
2-amino-5-fluoro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzamide
CID 43696372
3-bromo-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-methylbenzamide
CID 79464819

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-chloro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzamide?
The IUPAC name of 2-bromo-4-chloro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzamide (CID 103765484) is 2-bromo-4-chloro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzamide.
What is the SMILES notation for 2-bromo-4-chloro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzamide?
The canonical SMILES for 2-bromo-4-chloro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzamide is O=C(NC1CCN2CCCC12)c1ccc(Cl)cc1Br.
What is the InChIKey of 2-bromo-4-chloro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzamide?
The InChIKey is FYDDUZVEMOFEMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrClN2O/c15-11-8-9(16)3-4-10(11)14(19)17-12-5-7-18-6-1-2-13(12)18/h3-4,8,12-13H,1-2,5-7H2,(H,17,19).
What are the key properties of 2-bromo-4-chloro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzamide?
2-bromo-4-chloro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzamide has a molecular weight of 343.65 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-chloro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzamide is sourced from PubChem (CID 103765484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).