5-bromo-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2,3-dimethoxybenzamide

C16H23BrN2O3 — CID 14665494

IUPAC5-bromo-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2,3-dimethoxybenzamide
SMILESCCN1CCC[C@@H]1CNC(=O)c1cc(Br)cc(OC)c1OC
InChIInChI=1S/C16H23BrN2O3/c1-4-19-7-5-6-12(19)10-18-16(20)13-8-11(17)9-14(21-2)15(13)22-3/h8-9,12H,4-7,10H2,1-3H3,(H,18,20)/t12-/m1/s1
InChIKeyQAECXZXKVURFMR-GFCCVEGCSA-N
MW371.28 g/mol
LogP2.68
Rot. Bonds6

About 5-bromo-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2,3-dimethoxybenzamide

5-bromo-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2,3-dimethoxybenzamide (PubChem CID 14665494) has the molecular formula C16H23BrN2O3 and a molecular weight of 371.28 g/mol. Its IUPAC name is 5-bromo-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2,3-dimethoxybenzamide.

Molecular Properties

Compound Name5-bromo-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2,3-dimethoxybenzamide
PubChem CID14665494
Molecular FormulaC16H23BrN2O3
Molecular Weight371.28 g/mol
Exact Mass370.09
IUPAC Name5-bromo-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2,3-dimethoxybenzamide
SMILESCCN1CCC[C@@H]1CNC(=O)c1cc(Br)cc(OC)c1OC
InChIInChI=1S/C16H23BrN2O3/c1-4-19-7-5-6-12(19)10-18-16(20)13-8-11(17)9-14(21-2)15(13)22-3/h8-9,12H,4-7,10H2,1-3H3,(H,18,20)/t12-/m1/s1
InChIKeyQAECXZXKVURFMR-GFCCVEGCSA-N
XLogP2.68
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.28
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Remoxipride
CID 54477
5-(3-Fluoropropyl)-2,3-dimethoxy-N-(((2S)-1-(2-propen-1-yl)-2-pyrrolidinyl)methyl)benzamide
CID 10021692
Epidepride
CID 86101
Flb 457
CID 9907436
5-Bromo-N-((1-ethyl-2-pyrrolidinyl)methyl)-2,3-dimethoxybenzamide
CID 129497
N-(((S)-1-allylpyrrolidin-2-yl)methyl)-5-bromo-2,3-dimethoxybenzamide
CID 14665503
5-Bromo-N-[1-(4-fluoro-benzyl)-piperidin-4-yl]-2,3-dimethoxy-benzamide
CID 10003936
5-bromo-N-[9-[(4-fluorophenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]-2,3-dimethoxybenzamide
CID 23277249
N-(1-Benzyl-piperidin-4-yl)-5-bromo-2,3-dimethoxy-benzamide
CID 15167710
3-Bromo-N-(1-ethyl-pyrrolidin-2-ylmethyl)-2-hydroxy-5,6-dimethoxy-benzamide
CID 9977478
N-(1-Ethyl-pyrrolidin-2-ylmethyl)-5-(3-fluoro-propyl)-2,3-dimethoxy-benzamide
CID 10043596
(R) 5-Bromo-N-[1-(4-fluoro-benzyl)-pyrrolidin-2-ylmethyl]-2,3-dimethoxy-benzamide
CID 14880708

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2,3-dimethoxybenzamide?
The IUPAC name of 5-bromo-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2,3-dimethoxybenzamide (CID 14665494) is 5-bromo-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2,3-dimethoxybenzamide.
What is the SMILES notation for 5-bromo-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2,3-dimethoxybenzamide?
The canonical SMILES for 5-bromo-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2,3-dimethoxybenzamide is CCN1CCC[C@@H]1CNC(=O)c1cc(Br)cc(OC)c1OC.
What is the InChIKey of 5-bromo-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2,3-dimethoxybenzamide?
The InChIKey is QAECXZXKVURFMR-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H23BrN2O3/c1-4-19-7-5-6-12(19)10-18-16(20)13-8-11(17)9-14(21-2)15(13)22-3/h8-9,12H,4-7,10H2,1-3H3,(H,18,20)/t12-/m1/s1.
What are the key properties of 5-bromo-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2,3-dimethoxybenzamide?
5-bromo-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2,3-dimethoxybenzamide has a molecular weight of 371.28 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2,3-dimethoxybenzamide is sourced from PubChem (CID 14665494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).