N-[3-(4-bromo-2-methylphenyl)-2,3-dihydroxypropyl]acetamide

C12H16BrNO3 — CID 170831127

IUPACN-[3-(4-bromo-2-methylphenyl)-2,3-dihydroxypropyl]acetamide
SMILESCC(=O)NCC(O)C(O)c1ccc(Br)cc1C
InChIInChI=1S/C12H16BrNO3/c1-7-5-9(13)3-4-10(7)12(17)11(16)6-14-8(2)15/h3-5,11-12,16-17H,6H2,1-2H3,(H,14,15)
InChIKeyZHJOGKOPZWBMCD-UHFFFAOYSA-N
MW302.17 g/mol
LogP1.29
Rot. Bonds4

About N-[3-(4-bromo-2-methylphenyl)-2,3-dihydroxypropyl]acetamide

N-[3-(4-bromo-2-methylphenyl)-2,3-dihydroxypropyl]acetamide (PubChem CID 170831127) has the molecular formula C12H16BrNO3 and a molecular weight of 302.17 g/mol. Its IUPAC name is N-[3-(4-bromo-2-methylphenyl)-2,3-dihydroxypropyl]acetamide.

Molecular Properties

Compound NameN-[3-(4-bromo-2-methylphenyl)-2,3-dihydroxypropyl]acetamide
PubChem CID170831127
Molecular FormulaC12H16BrNO3
Molecular Weight302.17 g/mol
Exact Mass301.03
IUPAC NameN-[3-(4-bromo-2-methylphenyl)-2,3-dihydroxypropyl]acetamide
SMILESCC(=O)NCC(O)C(O)c1ccc(Br)cc1C
InChIInChI=1S/C12H16BrNO3/c1-7-5-9(13)3-4-10(7)12(17)11(16)6-14-8(2)15/h3-5,11-12,16-17H,6H2,1-2H3,(H,14,15)
InChIKeyZHJOGKOPZWBMCD-UHFFFAOYSA-N
XLogP1.29
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.17
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(4-bromo-2-methylphenyl)-3,4-dihydroxybutyl]acetamide
CID 171884118
N-[3-(3-bromo-4-methylphenyl)-2,3-dihydroxypropyl]acetamide
CID 170831130
N-[3-(2-bromo-5-hydroxyphenyl)-2,3-dihydroxypropyl]acetamide
CID 170831363
N-[3-(6-bromo-2H-indazol-3-yl)-2,3-dihydroxypropyl]acetamide
CID 170831188
N-[2,3-dihydroxy-3-(4-methoxy-2,5-dimethylphenyl)propyl]acetamide
CID 170830397
N-[2,3-dihydroxy-3-(2-methyl-6-oxo-1H-pyridin-3-yl)propyl]acetamide
CID 170829833
N-[3-(2-bromo-5-methoxyphenyl)-2,3-dihydroxypropyl]acetamide
CID 170831287
N-[3-(6-amino-2-methyl-3-pyridinyl)-2,3-dihydroxypropyl]acetamide
CID 170829714
N-[3-(2-bromo-4,5-dimethoxyphenyl)-2,3-dihydroxypropyl]acetamide
CID 170831307
N-[2,3-dihydroxy-3-(2,4,5-trifluorophenyl)propyl]acetamide
CID 170829875
N-[3-(4-amino-2-fluoro-3-methylphenyl)-2,3-dihydroxypropyl]acetamide
CID 170830083
N-[3-(4-chloro-2,6-dimethylphenyl)-2,3-dihydroxypropyl]acetamide
CID 170829889

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-bromo-2-methylphenyl)-2,3-dihydroxypropyl]acetamide?
The IUPAC name of N-[3-(4-bromo-2-methylphenyl)-2,3-dihydroxypropyl]acetamide (CID 170831127) is N-[3-(4-bromo-2-methylphenyl)-2,3-dihydroxypropyl]acetamide.
What is the SMILES notation for N-[3-(4-bromo-2-methylphenyl)-2,3-dihydroxypropyl]acetamide?
The canonical SMILES for N-[3-(4-bromo-2-methylphenyl)-2,3-dihydroxypropyl]acetamide is CC(=O)NCC(O)C(O)c1ccc(Br)cc1C.
What is the InChIKey of N-[3-(4-bromo-2-methylphenyl)-2,3-dihydroxypropyl]acetamide?
The InChIKey is ZHJOGKOPZWBMCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO3/c1-7-5-9(13)3-4-10(7)12(17)11(16)6-14-8(2)15/h3-5,11-12,16-17H,6H2,1-2H3,(H,14,15).
What are the key properties of N-[3-(4-bromo-2-methylphenyl)-2,3-dihydroxypropyl]acetamide?
N-[3-(4-bromo-2-methylphenyl)-2,3-dihydroxypropyl]acetamide has a molecular weight of 302.17 g/mol, XLogP of 1.29, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-bromo-2-methylphenyl)-2,3-dihydroxypropyl]acetamide is sourced from PubChem (CID 170831127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).