3-(3-bromophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide

C13H18BrNO2 — CID 43390569

IUPAC3-(3-bromophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide
SMILESCC(C)(CO)NC(=O)CCc1cccc(Br)c1
InChIInChI=1S/C13H18BrNO2/c1-13(2,9-16)15-12(17)7-6-10-4-3-5-11(14)8-10/h3-5,8,16H,6-7,9H2,1-2H3,(H,15,17)
InChIKeyMAJRJYBDGMLTTQ-UHFFFAOYSA-N
MW300.20 g/mol
LogP2.27
Rot. Bonds5

About 3-(3-bromophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide

3-(3-bromophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide (PubChem CID 43390569) has the molecular formula C13H18BrNO2 and a molecular weight of 300.20 g/mol. Its IUPAC name is 3-(3-bromophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide.

Molecular Properties

Compound Name3-(3-bromophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide
PubChem CID43390569
Molecular FormulaC13H18BrNO2
Molecular Weight300.20 g/mol
Exact Mass299.05
IUPAC Name3-(3-bromophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide
SMILESCC(C)(CO)NC(=O)CCc1cccc(Br)c1
InChIInChI=1S/C13H18BrNO2/c1-13(2,9-16)15-12(17)7-6-10-4-3-5-11(14)8-10/h3-5,8,16H,6-7,9H2,1-2H3,(H,15,17)
InChIKeyMAJRJYBDGMLTTQ-UHFFFAOYSA-N
XLogP2.27
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide?
The IUPAC name of 3-(3-bromophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide (CID 43390569) is 3-(3-bromophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide.
What is the SMILES notation for 3-(3-bromophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide?
The canonical SMILES for 3-(3-bromophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide is CC(C)(CO)NC(=O)CCc1cccc(Br)c1.
What is the InChIKey of 3-(3-bromophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide?
The InChIKey is MAJRJYBDGMLTTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO2/c1-13(2,9-16)15-12(17)7-6-10-4-3-5-11(14)8-10/h3-5,8,16H,6-7,9H2,1-2H3,(H,15,17).
What are the key properties of 3-(3-bromophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide?
3-(3-bromophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide has a molecular weight of 300.20 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide is sourced from PubChem (CID 43390569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).