N-[3-(2-bromo-5-hydroxyphenyl)-2,3-dihydroxypropyl]acetamide

C11H14BrNO4 — CID 170831363

IUPACN-[3-(2-bromo-5-hydroxyphenyl)-2,3-dihydroxypropyl]acetamide
SMILESCC(=O)NCC(O)C(O)c1cc(O)ccc1Br
InChIInChI=1S/C11H14BrNO4/c1-6(14)13-5-10(16)11(17)8-4-7(15)2-3-9(8)12/h2-4,10-11,15-17H,5H2,1H3,(H,13,14)
InChIKeyRBGLDPDYFVQCPU-UHFFFAOYSA-N
MW304.14 g/mol
LogP0.69
Rot. Bonds4

About N-[3-(2-bromo-5-hydroxyphenyl)-2,3-dihydroxypropyl]acetamide

N-[3-(2-bromo-5-hydroxyphenyl)-2,3-dihydroxypropyl]acetamide (PubChem CID 170831363) has the molecular formula C11H14BrNO4 and a molecular weight of 304.14 g/mol. Its IUPAC name is N-[3-(2-bromo-5-hydroxyphenyl)-2,3-dihydroxypropyl]acetamide.

Molecular Properties

Compound NameN-[3-(2-bromo-5-hydroxyphenyl)-2,3-dihydroxypropyl]acetamide
PubChem CID170831363
Molecular FormulaC11H14BrNO4
Molecular Weight304.14 g/mol
Exact Mass303.01
IUPAC NameN-[3-(2-bromo-5-hydroxyphenyl)-2,3-dihydroxypropyl]acetamide
SMILESCC(=O)NCC(O)C(O)c1cc(O)ccc1Br
InChIInChI=1S/C11H14BrNO4/c1-6(14)13-5-10(16)11(17)8-4-7(15)2-3-9(8)12/h2-4,10-11,15-17H,5H2,1H3,(H,13,14)
InChIKeyRBGLDPDYFVQCPU-UHFFFAOYSA-N
XLogP0.69
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.14
LogP ≤ 50.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(2-bromo-5-methoxyphenyl)-2,3-dihydroxypropyl]acetamide
CID 170831287
N-[3-(2-bromo-4,5-dimethoxyphenyl)-2,3-dihydroxypropyl]acetamide
CID 170831307
N-[3-(4-bromo-2-methylphenyl)-2,3-dihydroxypropyl]acetamide
CID 170831127
3-amino-1-(2-bromo-5-hydroxyphenyl)propane-1,2-diol
CID 170829314
N-[3-(3-bromo-4-methylphenyl)-2,3-dihydroxypropyl]acetamide
CID 170831130
N-[2,3-dihydroxy-3-(2,4,5-trifluorophenyl)propyl]acetamide
CID 170829875
N-[3-(3-fluoro-5-hydroxyphenyl)-2,3-dihydroxypropyl]acetamide
CID 170829656
ethyl 3-(2-bromo-5-hydroxyphenyl)-2,3-dihydroxypropanoate
CID 171867406
N-[3-(5-chloro-3-fluoro-2-hydroxyphenyl)-2,3-dihydroxypropyl]acetamide
CID 170830014
N-[3-(2-bromo-5-fluoro-4-pyridinyl)-2,3-dihydroxypropyl]acetamide
CID 170831474
2-[2-(3-acetamido-1,2-dihydroxypropyl)phenyl]acetic acid
CID 170830367
N-[2,3-dihydroxy-3-(2-methylsulfanylphenyl)propyl]acetamide
CID 170829588

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-bromo-5-hydroxyphenyl)-2,3-dihydroxypropyl]acetamide?
The IUPAC name of N-[3-(2-bromo-5-hydroxyphenyl)-2,3-dihydroxypropyl]acetamide (CID 170831363) is N-[3-(2-bromo-5-hydroxyphenyl)-2,3-dihydroxypropyl]acetamide.
What is the SMILES notation for N-[3-(2-bromo-5-hydroxyphenyl)-2,3-dihydroxypropyl]acetamide?
The canonical SMILES for N-[3-(2-bromo-5-hydroxyphenyl)-2,3-dihydroxypropyl]acetamide is CC(=O)NCC(O)C(O)c1cc(O)ccc1Br.
What is the InChIKey of N-[3-(2-bromo-5-hydroxyphenyl)-2,3-dihydroxypropyl]acetamide?
The InChIKey is RBGLDPDYFVQCPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO4/c1-6(14)13-5-10(16)11(17)8-4-7(15)2-3-9(8)12/h2-4,10-11,15-17H,5H2,1H3,(H,13,14).
What are the key properties of N-[3-(2-bromo-5-hydroxyphenyl)-2,3-dihydroxypropyl]acetamide?
N-[3-(2-bromo-5-hydroxyphenyl)-2,3-dihydroxypropyl]acetamide has a molecular weight of 304.14 g/mol, XLogP of 0.69, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-bromo-5-hydroxyphenyl)-2,3-dihydroxypropyl]acetamide is sourced from PubChem (CID 170831363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).