3-bromo-N-[(2R)-2-hydroxypropyl]-4-methoxybenzamide

C11H14BrNO3 — CID 83031955

IUPAC3-bromo-N-[(2R)-2-hydroxypropyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC[C@@H](C)O)cc1Br
InChIInChI=1S/C11H14BrNO3/c1-7(14)6-13-11(15)8-3-4-10(16-2)9(12)5-8/h3-5,7,14H,6H2,1-2H3,(H,13,15)/t7-/m1/s1
InChIKeyCFZZBMOWYJLHDX-SSDOTTSWSA-N
MW288.14 g/mol
LogP1.57
Rot. Bonds4

About 3-bromo-N-[(2R)-2-hydroxypropyl]-4-methoxybenzamide

3-bromo-N-[(2R)-2-hydroxypropyl]-4-methoxybenzamide (PubChem CID 83031955) has the molecular formula C11H14BrNO3 and a molecular weight of 288.14 g/mol. Its IUPAC name is 3-bromo-N-[(2R)-2-hydroxypropyl]-4-methoxybenzamide.

Molecular Properties

Compound Name3-bromo-N-[(2R)-2-hydroxypropyl]-4-methoxybenzamide
PubChem CID83031955
Molecular FormulaC11H14BrNO3
Molecular Weight288.14 g/mol
Exact Mass287.02
IUPAC Name3-bromo-N-[(2R)-2-hydroxypropyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC[C@@H](C)O)cc1Br
InChIInChI=1S/C11H14BrNO3/c1-7(14)6-13-11(15)8-3-4-10(16-2)9(12)5-8/h3-5,7,14H,6H2,1-2H3,(H,13,15)/t7-/m1/s1
InChIKeyCFZZBMOWYJLHDX-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

3-bromo-4-methoxy-N-(2,3,3-trimethylbutyl)benzamide
CID 78965757
3-bromo-4-methoxy-N-(2-methylsulfanylpropyl)benzamide
CID 115759468
3-bromo-N-(2-cyanopropyl)-4-methoxybenzamide
CID 55209192
3-bromo-N-[2-[(3-bromo-4-methoxybenzoyl)amino]ethyl]-4-methoxybenzamide
CID 5120217
3-bromo-N-ethyl-4-methoxybenzamide
CID 51200283
4-ethoxy-N-(2-hydroxypropyl)-3-methoxybenzamide
CID 43391198
3-bromo-N-(2-bromo-2-phenylethyl)-4-methoxybenzamide
CID 114308336
4-bromo-N-[(2R)-2-hydroxypropyl]-3,5-dimethoxybenzamide
CID 83031498
4-amino-3-bromo-N-[(2R)-2-hydroxypropyl]benzamide
CID 107220998
4-butoxy-N-(2-hydroxypropyl)-3-methoxybenzamide
CID 78800293
N-[(2R)-2-hydroxypropyl]-4-methoxy-3-nitrobenzamide
CID 83031412
3-bromo-4-methoxy-N'-methylbenzohydrazide
CID 116846856

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(2R)-2-hydroxypropyl]-4-methoxybenzamide?
The IUPAC name of 3-bromo-N-[(2R)-2-hydroxypropyl]-4-methoxybenzamide (CID 83031955) is 3-bromo-N-[(2R)-2-hydroxypropyl]-4-methoxybenzamide.
What is the SMILES notation for 3-bromo-N-[(2R)-2-hydroxypropyl]-4-methoxybenzamide?
The canonical SMILES for 3-bromo-N-[(2R)-2-hydroxypropyl]-4-methoxybenzamide is COc1ccc(C(=O)NC[C@@H](C)O)cc1Br.
What is the InChIKey of 3-bromo-N-[(2R)-2-hydroxypropyl]-4-methoxybenzamide?
The InChIKey is CFZZBMOWYJLHDX-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H14BrNO3/c1-7(14)6-13-11(15)8-3-4-10(16-2)9(12)5-8/h3-5,7,14H,6H2,1-2H3,(H,13,15)/t7-/m1/s1.
What are the key properties of 3-bromo-N-[(2R)-2-hydroxypropyl]-4-methoxybenzamide?
3-bromo-N-[(2R)-2-hydroxypropyl]-4-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 3-bromo-N-[(2R)-2-hydroxypropyl]-4-methoxybenzamide is sourced from PubChem (CID 83031955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).