3-(2-bromo-5-methoxyphenyl)-2,3-dihydroxypropanamide

C10H12BrNO4 — CID 171869396

IUPAC3-(2-bromo-5-methoxyphenyl)-2,3-dihydroxypropanamide
SMILESCOc1ccc(Br)c(C(O)C(O)C(N)=O)c1
InChIInChI=1S/C10H12BrNO4/c1-16-5-2-3-7(11)6(4-5)8(13)9(14)10(12)15/h2-4,8-9,13-14H,1H3,(H2,12,15)
InChIKeyWPCCNPFHDZYJRW-UHFFFAOYSA-N
MW290.11 g/mol
LogP0.34
Rot. Bonds4

About 3-(2-bromo-5-methoxyphenyl)-2,3-dihydroxypropanamide

3-(2-bromo-5-methoxyphenyl)-2,3-dihydroxypropanamide (PubChem CID 171869396) has the molecular formula C10H12BrNO4 and a molecular weight of 290.11 g/mol. Its IUPAC name is 3-(2-bromo-5-methoxyphenyl)-2,3-dihydroxypropanamide.

Molecular Properties

Compound Name3-(2-bromo-5-methoxyphenyl)-2,3-dihydroxypropanamide
PubChem CID171869396
Molecular FormulaC10H12BrNO4
Molecular Weight290.11 g/mol
Exact Mass288.99
IUPAC Name3-(2-bromo-5-methoxyphenyl)-2,3-dihydroxypropanamide
SMILESCOc1ccc(Br)c(C(O)C(O)C(N)=O)c1
InChIInChI=1S/C10H12BrNO4/c1-16-5-2-3-7(11)6(4-5)8(13)9(14)10(12)15/h2-4,8-9,13-14H,1H3,(H2,12,15)
InChIKeyWPCCNPFHDZYJRW-UHFFFAOYSA-N
XLogP0.34
TPSA92.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.11
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)propanamide
CID 171868027
3-(2-amino-4-methoxyphenyl)-2,3-dihydroxypropanamide
CID 171868281
(2S)-2-(2-bromo-5-methoxyphenyl)-2-hydroxyacetic acid
CID 131437530
2-(2-bromo-5-methoxyphenyl)-2-hydroxyacetic acid
CID 69148385
3-bromo-1-(2-bromo-5-methoxyphenyl)propane-1,2-diol
CID 171861209
S-[3-(2-bromo-5-methoxyphenyl)-2,3-dihydroxypropyl] ethanethioate
CID 170823163
N-[3-(2-bromo-5-methoxyphenyl)-2,3-dihydroxypropyl]acetamide
CID 170831287
(1R,2R)-1-amino-1-(2-bromo-5-methoxyphenyl)propan-2-ol
CID 130969127
2-(2-bromo-5-methoxyphenyl)-2-hydroxy-1-phenylethanone
CID 150726546
(2R)-2-(2-bromo-5-methoxyphenyl)-2-(methylamino)acetic acid
CID 124681138
(2S)-2-(2-bromo-5-methoxyphenyl)-2-(methylamino)acetic acid
CID 124681142
ethyl (3S)-3-amino-3-(2-bromo-5-methoxyphenyl)propanoate;hydrochloride
CID 171224445

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-5-methoxyphenyl)-2,3-dihydroxypropanamide?
The IUPAC name of 3-(2-bromo-5-methoxyphenyl)-2,3-dihydroxypropanamide (CID 171869396) is 3-(2-bromo-5-methoxyphenyl)-2,3-dihydroxypropanamide.
What is the SMILES notation for 3-(2-bromo-5-methoxyphenyl)-2,3-dihydroxypropanamide?
The canonical SMILES for 3-(2-bromo-5-methoxyphenyl)-2,3-dihydroxypropanamide is COc1ccc(Br)c(C(O)C(O)C(N)=O)c1.
What is the InChIKey of 3-(2-bromo-5-methoxyphenyl)-2,3-dihydroxypropanamide?
The InChIKey is WPCCNPFHDZYJRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO4/c1-16-5-2-3-7(11)6(4-5)8(13)9(14)10(12)15/h2-4,8-9,13-14H,1H3,(H2,12,15).
What are the key properties of 3-(2-bromo-5-methoxyphenyl)-2,3-dihydroxypropanamide?
3-(2-bromo-5-methoxyphenyl)-2,3-dihydroxypropanamide has a molecular weight of 290.11 g/mol, XLogP of 0.34, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-5-methoxyphenyl)-2,3-dihydroxypropanamide is sourced from PubChem (CID 171869396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).