2-bromo-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide

C13H17BrN2O — CID 104972061

IUPAC2-bromo-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide
SMILESO=C(NCC[C@H]1CCCN1)c1ccccc1Br
InChIInChI=1S/C13H17BrN2O/c14-12-6-2-1-5-11(12)13(17)16-9-7-10-4-3-8-15-10/h1-2,5-6,10,15H,3-4,7-9H2,(H,16,17)/t10-/m1/s1
InChIKeyUWSWKDKWNRTDRJ-SNVBAGLBSA-N
MW297.20 g/mol
LogP2.32
Rot. Bonds4

About 2-bromo-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide

2-bromo-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide (PubChem CID 104972061) has the molecular formula C13H17BrN2O and a molecular weight of 297.20 g/mol. Its IUPAC name is 2-bromo-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide
PubChem CID104972061
Molecular FormulaC13H17BrN2O
Molecular Weight297.20 g/mol
Exact Mass296.05
IUPAC Name2-bromo-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide
SMILESO=C(NCC[C@H]1CCCN1)c1ccccc1Br
InChIInChI=1S/C13H17BrN2O/c14-12-6-2-1-5-11(12)13(17)16-9-7-10-4-3-8-15-10/h1-2,5-6,10,15H,3-4,7-9H2,(H,16,17)/t10-/m1/s1
InChIKeyUWSWKDKWNRTDRJ-SNVBAGLBSA-N
XLogP2.32
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.20
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-2-chloro-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114793555
2-bromo-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119511017
2-ethyl-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114793888
2-bromo-4-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide
CID 104971649
2-(difluoromethoxy)-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide
CID 104971956
2-oxo-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-1H-pyridine-3-carboxamide
CID 104972057
2,6-difluoro-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114793746
3-chloro-2-methyl-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 107098372
4-bromo-2-chloro-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114794001
5-bromo-2-fluoro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide
CID 104972072
2-bromo-5-nitro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide
CID 104971622
3-bromo-4-methyl-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114793684

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide?
The IUPAC name of 2-bromo-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide (CID 104972061) is 2-bromo-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide.
What is the SMILES notation for 2-bromo-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide?
The canonical SMILES for 2-bromo-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide is O=C(NCC[C@H]1CCCN1)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide?
The InChIKey is UWSWKDKWNRTDRJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H17BrN2O/c14-12-6-2-1-5-11(12)13(17)16-9-7-10-4-3-8-15-10/h1-2,5-6,10,15H,3-4,7-9H2,(H,16,17)/t10-/m1/s1.
What are the key properties of 2-bromo-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide?
2-bromo-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide has a molecular weight of 297.20 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide is sourced from PubChem (CID 104972061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).