2-(3-bromophenyl)-N-(2,3-dihydroxy-2-methylpropyl)acetamide

C12H16BrNO3 — CID 66169892

IUPAC2-(3-bromophenyl)-N-(2,3-dihydroxy-2-methylpropyl)acetamide
SMILESCC(O)(CO)CNC(=O)Cc1cccc(Br)c1
InChIInChI=1S/C12H16BrNO3/c1-12(17,8-15)7-14-11(16)6-9-3-2-4-10(13)5-9/h2-5,15,17H,6-8H2,1H3,(H,14,16)
InChIKeyMEDGCZCTOIFCTG-UHFFFAOYSA-N
MW302.17 g/mol
LogP0.85
Rot. Bonds5

About 2-(3-bromophenyl)-N-(2,3-dihydroxy-2-methylpropyl)acetamide

2-(3-bromophenyl)-N-(2,3-dihydroxy-2-methylpropyl)acetamide (PubChem CID 66169892) has the molecular formula C12H16BrNO3 and a molecular weight of 302.17 g/mol. Its IUPAC name is 2-(3-bromophenyl)-N-(2,3-dihydroxy-2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-(3-bromophenyl)-N-(2,3-dihydroxy-2-methylpropyl)acetamide
PubChem CID66169892
Molecular FormulaC12H16BrNO3
Molecular Weight302.17 g/mol
Exact Mass301.03
IUPAC Name2-(3-bromophenyl)-N-(2,3-dihydroxy-2-methylpropyl)acetamide
SMILESCC(O)(CO)CNC(=O)Cc1cccc(Br)c1
InChIInChI=1S/C12H16BrNO3/c1-12(17,8-15)7-14-11(16)6-9-3-2-4-10(13)5-9/h2-5,15,17H,6-8H2,1H3,(H,14,16)
InChIKeyMEDGCZCTOIFCTG-UHFFFAOYSA-N
XLogP0.85
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.17
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dihydroxy-2-methylpropyl)-2-(3-hydroxyphenyl)acetamide
CID 66169594
N-(2-amino-2-methylpropyl)-2-(3-bromophenyl)acetamide
CID 81483325
3-bromo-N-(2,3-dihydroxy-2-methylpropyl)benzamide
CID 66168403
2-(3-bromophenyl)-N-(2-methyl-2-phenylpropyl)acetamide
CID 113090289
2-(3-bromophenyl)-N-[2-(chloromethyl)-2-ethylbutyl]acetamide
CID 114164473
2-(3-bromophenyl)-N-[2-(4-chlorophenyl)-2-methylpropyl]acetamide
CID 113090395
methyl 2-[[2-(3-bromophenyl)acetyl]amino]acetate
CID 55207927
2-(3-bromophenyl)-N-propylacetamide
CID 4084138
2-(3-bromophenyl)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]acetamide
CID 114008475
2-(4-chlorophenyl)-N-(2,3-dihydroxy-2-methylpropyl)acetamide
CID 66168619
3-[[2-(3-bromophenyl)acetyl]amino]-2-hydroxypropanamide
CID 107362620
N-(2,3-dihydroxy-2-methylpropyl)-2-(2-methylphenyl)acetamide
CID 66168615

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-N-(2,3-dihydroxy-2-methylpropyl)acetamide?
The IUPAC name of 2-(3-bromophenyl)-N-(2,3-dihydroxy-2-methylpropyl)acetamide (CID 66169892) is 2-(3-bromophenyl)-N-(2,3-dihydroxy-2-methylpropyl)acetamide.
What is the SMILES notation for 2-(3-bromophenyl)-N-(2,3-dihydroxy-2-methylpropyl)acetamide?
The canonical SMILES for 2-(3-bromophenyl)-N-(2,3-dihydroxy-2-methylpropyl)acetamide is CC(O)(CO)CNC(=O)Cc1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)-N-(2,3-dihydroxy-2-methylpropyl)acetamide?
The InChIKey is MEDGCZCTOIFCTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO3/c1-12(17,8-15)7-14-11(16)6-9-3-2-4-10(13)5-9/h2-5,15,17H,6-8H2,1H3,(H,14,16).
What are the key properties of 2-(3-bromophenyl)-N-(2,3-dihydroxy-2-methylpropyl)acetamide?
2-(3-bromophenyl)-N-(2,3-dihydroxy-2-methylpropyl)acetamide has a molecular weight of 302.17 g/mol, XLogP of 0.85, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-N-(2,3-dihydroxy-2-methylpropyl)acetamide is sourced from PubChem (CID 66169892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).