3-bromo-6-hydroxy-2-methoxy-N-[(1-propylpyrrolidin-2-yl)methyl]benzamide;hydrochloride

C16H24BrClN2O3 — CID 21282684

IUPAC3-bromo-6-hydroxy-2-methoxy-N-[(1-propylpyrrolidin-2-yl)methyl]benzamide;hydrochloride
SMILESCCCN1CCCC1CNC(=O)c1c(O)ccc(Br)c1OC.Cl
InChIInChI=1S/C16H23BrN2O3.ClH/c1-3-8-19-9-4-5-11(19)10-18-16(21)14-13(20)7-6-12(17)15(14)22-2;/h6-7,11,20H,3-5,8-10H2,1-2H3,(H,18,21);1H
InChIKeyDXQAFAOQNWOMMK-UHFFFAOYSA-N
MW407.74 g/mol
LogP3.19
Rot. Bonds6

About 3-bromo-6-hydroxy-2-methoxy-N-[(1-propylpyrrolidin-2-yl)methyl]benzamide;hydrochloride

3-bromo-6-hydroxy-2-methoxy-N-[(1-propylpyrrolidin-2-yl)methyl]benzamide;hydrochloride (PubChem CID 21282684) has the molecular formula C16H24BrClN2O3 and a molecular weight of 407.74 g/mol. Its IUPAC name is 3-bromo-6-hydroxy-2-methoxy-N-[(1-propylpyrrolidin-2-yl)methyl]benzamide;hydrochloride.

Molecular Properties

Compound Name3-bromo-6-hydroxy-2-methoxy-N-[(1-propylpyrrolidin-2-yl)methyl]benzamide;hydrochloride
PubChem CID21282684
Molecular FormulaC16H24BrClN2O3
Molecular Weight407.74 g/mol
Exact Mass406.07
IUPAC Name3-bromo-6-hydroxy-2-methoxy-N-[(1-propylpyrrolidin-2-yl)methyl]benzamide;hydrochloride
SMILESCCCN1CCCC1CNC(=O)c1c(O)ccc(Br)c1OC.Cl
InChIInChI=1S/C16H23BrN2O3.ClH/c1-3-8-19-9-4-5-11(19)10-18-16(21)14-13(20)7-6-12(17)15(14)22-2;/h6-7,11,20H,3-5,8-10H2,1-2H3,(H,18,21);1H
InChIKeyDXQAFAOQNWOMMK-UHFFFAOYSA-N
XLogP3.19
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.74
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-2,6-dimethoxybenzamide;hydrate;hydrochloride
CID 22734987
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-6-hydroxy-3-iodo-2-methoxybenzamide
CID 14691952
3,5-dibromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-hydroxy-6-methoxybenzamide;hydrochloride
CID 88691958
5-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-2,3-dihydroxy-6-methoxybenzamide
CID 10022203
[6-bromo-2-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]-3-methoxyphenyl] acetate
CID 13493835
3-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-hydroxy-5-iodo-6-methoxybenzamide
CID 10345188
2,3-dimethoxy-N-[[(2R)-1-propylpyrrolidin-2-yl]methyl]-5-sulfamoylbenzamide
CID 172640676
2-amino-3-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-5,6-dimethoxybenzamide
CID 14076876
4-bromo-N-[(1-butylpyrrolidin-2-yl)methyl]-1-methoxynaphthalene-2-carboxamide;hydrochloride
CID 18983061
3,4-dichloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-hydroxy-2-methoxybenzamide
CID 142641654
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-hydroxy-2-methoxybenzamide
CID 52947113
N-[[(2R)-1-benzylpyrrolidin-2-yl]methyl]-3-bromo-2-hydroxy-5,6-dimethoxybenzamide
CID 14894161

Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-hydroxy-2-methoxy-N-[(1-propylpyrrolidin-2-yl)methyl]benzamide;hydrochloride?
The IUPAC name of 3-bromo-6-hydroxy-2-methoxy-N-[(1-propylpyrrolidin-2-yl)methyl]benzamide;hydrochloride (CID 21282684) is 3-bromo-6-hydroxy-2-methoxy-N-[(1-propylpyrrolidin-2-yl)methyl]benzamide;hydrochloride.
What is the SMILES notation for 3-bromo-6-hydroxy-2-methoxy-N-[(1-propylpyrrolidin-2-yl)methyl]benzamide;hydrochloride?
The canonical SMILES for 3-bromo-6-hydroxy-2-methoxy-N-[(1-propylpyrrolidin-2-yl)methyl]benzamide;hydrochloride is CCCN1CCCC1CNC(=O)c1c(O)ccc(Br)c1OC.Cl.
What is the InChIKey of 3-bromo-6-hydroxy-2-methoxy-N-[(1-propylpyrrolidin-2-yl)methyl]benzamide;hydrochloride?
The InChIKey is DXQAFAOQNWOMMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O3.ClH/c1-3-8-19-9-4-5-11(19)10-18-16(21)14-13(20)7-6-12(17)15(14)22-2;/h6-7,11,20H,3-5,8-10H2,1-2H3,(H,18,21);1H.
What are the key properties of 3-bromo-6-hydroxy-2-methoxy-N-[(1-propylpyrrolidin-2-yl)methyl]benzamide;hydrochloride?
3-bromo-6-hydroxy-2-methoxy-N-[(1-propylpyrrolidin-2-yl)methyl]benzamide;hydrochloride has a molecular weight of 407.74 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-hydroxy-2-methoxy-N-[(1-propylpyrrolidin-2-yl)methyl]benzamide;hydrochloride is sourced from PubChem (CID 21282684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).