4-bromo-N-[(2R)-2-hydroxypropyl]-3,5-dimethoxybenzamide

C12H16BrNO4 — CID 83031498

IUPAC4-bromo-N-[(2R)-2-hydroxypropyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(C(=O)NC[C@@H](C)O)cc(OC)c1Br
InChIInChI=1S/C12H16BrNO4/c1-7(15)6-14-12(16)8-4-9(17-2)11(13)10(5-8)18-3/h4-5,7,15H,6H2,1-3H3,(H,14,16)/t7-/m1/s1
InChIKeyRBSPKRQSKJPKAI-SSDOTTSWSA-N
MW318.17 g/mol
LogP1.58
Rot. Bonds5

About 4-bromo-N-[(2R)-2-hydroxypropyl]-3,5-dimethoxybenzamide

4-bromo-N-[(2R)-2-hydroxypropyl]-3,5-dimethoxybenzamide (PubChem CID 83031498) has the molecular formula C12H16BrNO4 and a molecular weight of 318.17 g/mol. Its IUPAC name is 4-bromo-N-[(2R)-2-hydroxypropyl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound Name4-bromo-N-[(2R)-2-hydroxypropyl]-3,5-dimethoxybenzamide
PubChem CID83031498
Molecular FormulaC12H16BrNO4
Molecular Weight318.17 g/mol
Exact Mass317.03
IUPAC Name4-bromo-N-[(2R)-2-hydroxypropyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(C(=O)NC[C@@H](C)O)cc(OC)c1Br
InChIInChI=1S/C12H16BrNO4/c1-7(15)6-14-12(16)8-4-9(17-2)11(13)10(5-8)18-3/h4-5,7,15H,6H2,1-3H3,(H,14,16)/t7-/m1/s1
InChIKeyRBSPKRQSKJPKAI-SSDOTTSWSA-N
XLogP1.58
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.17
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-bromo-3,5-dimethoxybenzoyl)amino]-2-hydroxypropanoic acid
CID 66167441
4-bromo-N-(2-hydroxypentyl)-3,5-dimethoxybenzamide
CID 115700732
3-bromo-N-[(2R)-2-hydroxypropyl]-4-methoxybenzamide
CID 83031955
4-bromo-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3,5-dimethoxybenzamide
CID 55655345
3,5-dibromo-N-[(2S)-2-hydroxypropyl]benzamide
CID 103909431
4-bromo-N-(2-hydroxyethyl)-3,5-dimethoxybenzamide
CID 43392944
4-ethoxy-N-(2-hydroxypropyl)-3-methoxybenzamide
CID 43391198
4-[(4-bromo-3,5-dimethoxybenzoyl)amino]-2-methylbutanoic acid
CID 80537436
N-(3-aminobutyl)-4-bromo-3,5-dimethoxybenzamide;hydrochloride
CID 119494813
4-bromo-3,5-dimethoxy-N-[2-(methylamino)ethyl]benzamide
CID 119499922
3-chloro-N-(2-hydroxypropyl)-5-methoxy-4-propoxybenzamide
CID 78856166
4-bromo-3,5-dimethoxy-N-methylbenzamide
CID 47122657

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(2R)-2-hydroxypropyl]-3,5-dimethoxybenzamide?
The IUPAC name of 4-bromo-N-[(2R)-2-hydroxypropyl]-3,5-dimethoxybenzamide (CID 83031498) is 4-bromo-N-[(2R)-2-hydroxypropyl]-3,5-dimethoxybenzamide.
What is the SMILES notation for 4-bromo-N-[(2R)-2-hydroxypropyl]-3,5-dimethoxybenzamide?
The canonical SMILES for 4-bromo-N-[(2R)-2-hydroxypropyl]-3,5-dimethoxybenzamide is COc1cc(C(=O)NC[C@@H](C)O)cc(OC)c1Br.
What is the InChIKey of 4-bromo-N-[(2R)-2-hydroxypropyl]-3,5-dimethoxybenzamide?
The InChIKey is RBSPKRQSKJPKAI-SSDOTTSWSA-N. The full InChI is InChI=1S/C12H16BrNO4/c1-7(15)6-14-12(16)8-4-9(17-2)11(13)10(5-8)18-3/h4-5,7,15H,6H2,1-3H3,(H,14,16)/t7-/m1/s1.
What are the key properties of 4-bromo-N-[(2R)-2-hydroxypropyl]-3,5-dimethoxybenzamide?
4-bromo-N-[(2R)-2-hydroxypropyl]-3,5-dimethoxybenzamide has a molecular weight of 318.17 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(2R)-2-hydroxypropyl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 83031498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).