2-bromo-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]-5-methoxybenzamide

C13H16BrNO4 — CID 129397711

IUPAC2-bromo-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]-5-methoxybenzamide
SMILESCOc1ccc(Br)c(C(=O)NC[C@]2(O)CCOC2)c1
InChIInChI=1S/C13H16BrNO4/c1-18-9-2-3-11(14)10(6-9)12(16)15-7-13(17)4-5-19-8-13/h2-3,6,17H,4-5,7-8H2,1H3,(H,15,16)/t13-/m1/s1
InChIKeyMAFQIALOXCVLIY-CYBMUJFWSA-N
MW330.18 g/mol
LogP1.34
Rot. Bonds4

About 2-bromo-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]-5-methoxybenzamide

2-bromo-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]-5-methoxybenzamide (PubChem CID 129397711) has the molecular formula C13H16BrNO4 and a molecular weight of 330.18 g/mol. Its IUPAC name is 2-bromo-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]-5-methoxybenzamide.

Molecular Properties

Compound Name2-bromo-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]-5-methoxybenzamide
PubChem CID129397711
Molecular FormulaC13H16BrNO4
Molecular Weight330.18 g/mol
Exact Mass329.03
IUPAC Name2-bromo-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]-5-methoxybenzamide
SMILESCOc1ccc(Br)c(C(=O)NC[C@]2(O)CCOC2)c1
InChIInChI=1S/C13H16BrNO4/c1-18-9-2-3-11(14)10(6-9)12(16)15-7-13(17)4-5-19-8-13/h2-3,6,17H,4-5,7-8H2,1H3,(H,15,16)/t13-/m1/s1
InChIKeyMAFQIALOXCVLIY-CYBMUJFWSA-N
XLogP1.34
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.18
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dibromo-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide
CID 104920466
2-(2,4-dimethoxyphenyl)-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide
CID 103849339
2-bromo-5-methoxy-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide
CID 113252964
2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-4,5-dimethoxybenzamide
CID 106099011
1-[(3-hydroxyoxolan-3-yl)methyl]-3-(4-methoxyphenyl)urea
CID 103847569
2-bromo-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-5-methoxybenzamide
CID 71782171
3-bromo-N-[(3-hydroxyoxolan-3-yl)methyl]-4-methylbenzamide
CID 103849475
N-[(3-hydroxyoxolan-3-yl)methyl]-2-methoxypyridine-3-carboxamide
CID 113337975
2-bromo-5-methoxy-N-[3-(methylamino)propyl]benzamide
CID 43600621
2-bromo-5-methoxy-N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]benzamide
CID 91631307
5-chloro-N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylbenzamide
CID 113337983
2-bromo-5-methoxy-N-[3-(methylamino)propyl]benzamide;hydrochloride
CID 119429716

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]-5-methoxybenzamide?
The IUPAC name of 2-bromo-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]-5-methoxybenzamide (CID 129397711) is 2-bromo-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]-5-methoxybenzamide.
What is the SMILES notation for 2-bromo-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]-5-methoxybenzamide?
The canonical SMILES for 2-bromo-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]-5-methoxybenzamide is COc1ccc(Br)c(C(=O)NC[C@]2(O)CCOC2)c1.
What is the InChIKey of 2-bromo-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]-5-methoxybenzamide?
The InChIKey is MAFQIALOXCVLIY-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H16BrNO4/c1-18-9-2-3-11(14)10(6-9)12(16)15-7-13(17)4-5-19-8-13/h2-3,6,17H,4-5,7-8H2,1H3,(H,15,16)/t13-/m1/s1.
What are the key properties of 2-bromo-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]-5-methoxybenzamide?
2-bromo-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]-5-methoxybenzamide has a molecular weight of 330.18 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]-5-methoxybenzamide is sourced from PubChem (CID 129397711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).