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

C14H16BrClN2O — CID 113363104

IUPAC3-bromo-2-chloro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzamide
SMILESO=C(NC1CCN2CCCC12)c1cccc(Br)c1Cl
InChIInChI=1S/C14H16BrClN2O/c15-10-4-1-3-9(13(10)16)14(19)17-11-6-8-18-7-2-5-12(11)18/h1,3-4,11-12H,2,5-8H2,(H,17,19)
InChIKeyUZGFAZSNKAVTEM-UHFFFAOYSA-N
MW343.65 g/mol
LogP3.07
Rot. Bonds2

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

3-bromo-2-chloro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzamide (PubChem CID 113363104) has the molecular formula C14H16BrClN2O and a molecular weight of 343.65 g/mol. Its IUPAC name is 3-bromo-2-chloro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzamide.

Molecular Properties

Compound Name3-bromo-2-chloro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzamide
PubChem CID113363104
Molecular FormulaC14H16BrClN2O
Molecular Weight343.65 g/mol
Exact Mass342.01
IUPAC Name3-bromo-2-chloro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzamide
SMILESO=C(NC1CCN2CCCC12)c1cccc(Br)c1Cl
InChIInChI=1S/C14H16BrClN2O/c15-10-4-1-3-9(13(10)16)14(19)17-11-6-8-18-7-2-5-12(11)18/h1,3-4,11-12H,2,5-8H2,(H,17,19)
InChIKeyUZGFAZSNKAVTEM-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

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Related Compounds

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CID 103765484
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CID 60941055
3-bromo-2-chloro-N-(2-hydroxycyclohexyl)benzamide
CID 110021575
N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-hydrazinylbenzamide
CID 62247113
2-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)benzamide;dihydrochloride
CID 119946727
3-bromo-2-chloro-N-(2-methylcyclopropyl)benzamide
CID 103989531
2-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3-nitrobenzamide
CID 115679070
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-chloro-5-hydroxybenzamide
CID 106501584
N-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-chlorobenzamide
CID 94121435
N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-(methylamino)pyridine-3-carboxamide
CID 62176030
N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3-hydroxybenzamide
CID 54967315
2-amino-5-fluoro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzamide
CID 43696372

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-chloro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzamide?
The IUPAC name of 3-bromo-2-chloro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzamide (CID 113363104) is 3-bromo-2-chloro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzamide.
What is the SMILES notation for 3-bromo-2-chloro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzamide?
The canonical SMILES for 3-bromo-2-chloro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzamide is O=C(NC1CCN2CCCC12)c1cccc(Br)c1Cl.
What is the InChIKey of 3-bromo-2-chloro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzamide?
The InChIKey is UZGFAZSNKAVTEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrClN2O/c15-10-4-1-3-9(13(10)16)14(19)17-11-6-8-18-7-2-5-12(11)18/h1,3-4,11-12H,2,5-8H2,(H,17,19).
What are the key properties of 3-bromo-2-chloro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzamide?
3-bromo-2-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 3-bromo-2-chloro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzamide is sourced from PubChem (CID 113363104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).