3-(3-bromophenyl)propanamide;ethane

C11H16BrNO — CID 91218964

IUPAC3-(3-bromophenyl)propanamide;ethane
SMILESCC.NC(=O)CCc1cccc(Br)c1
InChIInChI=1S/C9H10BrNO.C2H6/c10-8-3-1-2-7(6-8)4-5-9(11)12;1-2/h1-3,6H,4-5H2,(H2,11,12);1-2H3
InChIKeyCOUKIIVEQBQOIQ-UHFFFAOYSA-N
MW258.16 g/mol
LogP2.89
Rot. Bonds3

About 3-(3-bromophenyl)propanamide;ethane

3-(3-bromophenyl)propanamide;ethane (PubChem CID 91218964) has the molecular formula C11H16BrNO and a molecular weight of 258.16 g/mol. Its IUPAC name is 3-(3-bromophenyl)propanamide;ethane.

Molecular Properties

Compound Name3-(3-bromophenyl)propanamide;ethane
PubChem CID91218964
Molecular FormulaC11H16BrNO
Molecular Weight258.16 g/mol
Exact Mass257.04
IUPAC Name3-(3-bromophenyl)propanamide;ethane
SMILESCC.NC(=O)CCc1cccc(Br)c1
InChIInChI=1S/C9H10BrNO.C2H6/c10-8-3-1-2-7(6-8)4-5-9(11)12;1-2/h1-3,6H,4-5H2,(H2,11,12);1-2H3
InChIKeyCOUKIIVEQBQOIQ-UHFFFAOYSA-N
XLogP2.89
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.16
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3-bromophenyl)propanamide
CID 20823841
3-(3-bromophenyl)propanoyl chloride
CID 12607235
2-(3-bromophenyl)acetamide
CID 11736027
1-(3-bromophenyl)-4-methylpentan-3-one
CID 43175847
4-(3-bromophenyl)-1-chlorobutan-2-one
CID 39361872
(2R)-4-amino-2-[3-(3-bromophenyl)propanoylamino]-4-oxobutanoic acid
CID 107821024
2-bromo-3-(3-bromophenyl)propanamide
CID 104512986
ethyl (2R)-5-(3-bromophenyl)-2-methyl-3-oxopentanoate
CID 129395805
3-(3-bromophenyl)-1-(2,6-dimethylpiperidin-1-yl)propan-1-one
CID 127122318
2-propan-2-yloxyethyl 3-(3-bromophenyl)propanoate
CID 78790223
N-(2-aminoethyl)-3-(3-bromophenyl)propanamide
CID 94697075
6-(3-bromophenyl)-2-methylhexan-3-one
CID 64505952

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)propanamide;ethane?
The IUPAC name of 3-(3-bromophenyl)propanamide;ethane (CID 91218964) is 3-(3-bromophenyl)propanamide;ethane.
What is the SMILES notation for 3-(3-bromophenyl)propanamide;ethane?
The canonical SMILES for 3-(3-bromophenyl)propanamide;ethane is CC.NC(=O)CCc1cccc(Br)c1.
What is the InChIKey of 3-(3-bromophenyl)propanamide;ethane?
The InChIKey is COUKIIVEQBQOIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO.C2H6/c10-8-3-1-2-7(6-8)4-5-9(11)12;1-2/h1-3,6H,4-5H2,(H2,11,12);1-2H3.
What are the key properties of 3-(3-bromophenyl)propanamide;ethane?
3-(3-bromophenyl)propanamide;ethane has a molecular weight of 258.16 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)propanamide;ethane is sourced from PubChem (CID 91218964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).