4-bromo-N-[(2R)-1-hydroxypropan-2-yl]-2-methoxybenzamide

C11H14BrNO3 — CID 115369589

IUPAC4-bromo-N-[(2R)-1-hydroxypropan-2-yl]-2-methoxybenzamide
SMILESCOc1cc(Br)ccc1C(=O)N[C@H](C)CO
InChIInChI=1S/C11H14BrNO3/c1-7(6-14)13-11(15)9-4-3-8(12)5-10(9)16-2/h3-5,7,14H,6H2,1-2H3,(H,13,15)/t7-/m1/s1
InChIKeyJSBVWXXQKPDPGG-SSDOTTSWSA-N
MW288.14 g/mol
LogP1.57
Rot. Bonds4

About 4-bromo-N-[(2R)-1-hydroxypropan-2-yl]-2-methoxybenzamide

4-bromo-N-[(2R)-1-hydroxypropan-2-yl]-2-methoxybenzamide (PubChem CID 115369589) has the molecular formula C11H14BrNO3 and a molecular weight of 288.14 g/mol. Its IUPAC name is 4-bromo-N-[(2R)-1-hydroxypropan-2-yl]-2-methoxybenzamide.

Molecular Properties

Compound Name4-bromo-N-[(2R)-1-hydroxypropan-2-yl]-2-methoxybenzamide
PubChem CID115369589
Molecular FormulaC11H14BrNO3
Molecular Weight288.14 g/mol
Exact Mass287.02
IUPAC Name4-bromo-N-[(2R)-1-hydroxypropan-2-yl]-2-methoxybenzamide
SMILESCOc1cc(Br)ccc1C(=O)N[C@H](C)CO
InChIInChI=1S/C11H14BrNO3/c1-7(6-14)13-11(15)9-4-3-8(12)5-10(9)16-2/h3-5,7,14H,6H2,1-2H3,(H,13,15)/t7-/m1/s1
InChIKeyJSBVWXXQKPDPGG-SSDOTTSWSA-N
XLogP1.57
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.14
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-2-methoxy-N-pent-4-en-2-ylbenzamide
CID 115631363
4-bromo-N-(1-cyclopropylpropan-2-yl)-2-methoxybenzamide
CID 78956600
4-bromo-N-(1,1-dimethoxypropan-2-yl)-2-methoxybenzamide
CID 115369120
4-bromo-2-chloro-N-(1-hydroxypropan-2-yl)benzamide
CID 43805745
2-[(4-bromo-2-methoxybenzoyl)amino]-4-hydroxybutanoic acid
CID 113295962
2-[(4-bromo-2-methoxybenzoyl)amino]-4-methylpentanoic acid
CID 115368583
4-bromo-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-2-methoxybenzamide
CID 106350244
4-bromo-2-methoxy-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide
CID 78988208
4-bromo-2-methoxy-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 102906384
4-bromo-2-methoxy-N-(2-methylpropoxy)benzamide
CID 115409622
4-[(4-bromo-2-methoxybenzoyl)amino]-3-methylbutanoic acid
CID 113295975
4-amino-2-[(4-bromo-2-methoxybenzoyl)amino]-4-oxobutanoic acid
CID 115368589

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(2R)-1-hydroxypropan-2-yl]-2-methoxybenzamide?
The IUPAC name of 4-bromo-N-[(2R)-1-hydroxypropan-2-yl]-2-methoxybenzamide (CID 115369589) is 4-bromo-N-[(2R)-1-hydroxypropan-2-yl]-2-methoxybenzamide.
What is the SMILES notation for 4-bromo-N-[(2R)-1-hydroxypropan-2-yl]-2-methoxybenzamide?
The canonical SMILES for 4-bromo-N-[(2R)-1-hydroxypropan-2-yl]-2-methoxybenzamide is COc1cc(Br)ccc1C(=O)N[C@H](C)CO.
What is the InChIKey of 4-bromo-N-[(2R)-1-hydroxypropan-2-yl]-2-methoxybenzamide?
The InChIKey is JSBVWXXQKPDPGG-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H14BrNO3/c1-7(6-14)13-11(15)9-4-3-8(12)5-10(9)16-2/h3-5,7,14H,6H2,1-2H3,(H,13,15)/t7-/m1/s1.
What are the key properties of 4-bromo-N-[(2R)-1-hydroxypropan-2-yl]-2-methoxybenzamide?
4-bromo-N-[(2R)-1-hydroxypropan-2-yl]-2-methoxybenzamide has a molecular weight of 288.14 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(2R)-1-hydroxypropan-2-yl]-2-methoxybenzamide is sourced from PubChem (CID 115369589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).