2-(3-bromophenyl)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]acetamide

C12H16BrNO4 — CID 114008475

IUPAC2-(3-bromophenyl)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]acetamide
SMILESO=C(Cc1cccc(Br)c1)NC(CO)(CO)CO
InChIInChI=1S/C12H16BrNO4/c13-10-3-1-2-9(4-10)5-11(18)14-12(6-15,7-16)8-17/h1-4,15-17H,5-8H2,(H,14,18)
InChIKeyRQQQJDACVOJDHQ-UHFFFAOYSA-N
MW318.17 g/mol
LogP-0.18
Rot. Bonds6

About 2-(3-bromophenyl)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]acetamide

2-(3-bromophenyl)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]acetamide (PubChem CID 114008475) has the molecular formula C12H16BrNO4 and a molecular weight of 318.17 g/mol. Its IUPAC name is 2-(3-bromophenyl)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]acetamide.

Molecular Properties

Compound Name2-(3-bromophenyl)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]acetamide
PubChem CID114008475
Molecular FormulaC12H16BrNO4
Molecular Weight318.17 g/mol
Exact Mass317.03
IUPAC Name2-(3-bromophenyl)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]acetamide
SMILESO=C(Cc1cccc(Br)c1)NC(CO)(CO)CO
InChIInChI=1S/C12H16BrNO4/c13-10-3-1-2-9(4-10)5-11(18)14-12(6-15,7-16)8-17/h1-4,15-17H,5-8H2,(H,14,18)
InChIKeyRQQQJDACVOJDHQ-UHFFFAOYSA-N
XLogP-0.18
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.17
LogP ≤ 5-0.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(bromomethyl)pentan-3-yl]-2-(3-bromophenyl)acetamide
CID 113275793
N-[1-bromo-2-(bromomethyl)butan-2-yl]-2-(3-bromophenyl)acetamide
CID 114010943
2-(3-bromophenyl)-N-(2-methyl-1-phenylpropan-2-yl)acetamide
CID 100702626
2-(3-bromophenyl)-N-(2,3-dihydroxy-2-methylpropyl)acetamide
CID 66169892
2-(3-bromophenyl)acetate
CID 3608673
2-(3-bromophenyl)-N-(3,5-dimethylphenyl)acetamide
CID 100697605
2-(3-bromophenyl)-N-cyclopentylacetamide
CID 62605138
N-(2-amino-2-methylpropyl)-2-(3-bromophenyl)acetamide
CID 81483325
methyl 2-[[2-(3-bromophenyl)acetyl]amino]acetate
CID 55207927
2-(3-bromophenyl)acetamide
CID 11736027
2-(3-bromophenyl)-N-propylacetamide
CID 4084138
N-[2-(bromomethyl)cyclopentyl]-2-(3-bromophenyl)acetamide
CID 106366253

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]acetamide?
The IUPAC name of 2-(3-bromophenyl)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]acetamide (CID 114008475) is 2-(3-bromophenyl)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]acetamide.
What is the SMILES notation for 2-(3-bromophenyl)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]acetamide?
The canonical SMILES for 2-(3-bromophenyl)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]acetamide is O=C(Cc1cccc(Br)c1)NC(CO)(CO)CO.
What is the InChIKey of 2-(3-bromophenyl)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]acetamide?
The InChIKey is RQQQJDACVOJDHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO4/c13-10-3-1-2-9(4-10)5-11(18)14-12(6-15,7-16)8-17/h1-4,15-17H,5-8H2,(H,14,18).
What are the key properties of 2-(3-bromophenyl)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]acetamide?
2-(3-bromophenyl)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]acetamide has a molecular weight of 318.17 g/mol, XLogP of -0.18, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]acetamide is sourced from PubChem (CID 114008475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).