3-(5-bromo-2-methylphenyl)propanamide

C10H12BrNO — CID 175640046

IUPAC3-(5-bromo-2-methylphenyl)propanamide
SMILESCc1ccc(Br)cc1CCC(N)=O
InChIInChI=1S/C10H12BrNO/c1-7-2-4-9(11)6-8(7)3-5-10(12)13/h2,4,6H,3,5H2,1H3,(H2,12,13)
InChIKeySYJSLQOWQMRGRE-UHFFFAOYSA-N
MW242.12 g/mol
LogP2.18
Rot. Bonds3

About 3-(5-bromo-2-methylphenyl)propanamide

3-(5-bromo-2-methylphenyl)propanamide (PubChem CID 175640046) has the molecular formula C10H12BrNO and a molecular weight of 242.12 g/mol. Its IUPAC name is 3-(5-bromo-2-methylphenyl)propanamide.

Molecular Properties

Compound Name3-(5-bromo-2-methylphenyl)propanamide
PubChem CID175640046
Molecular FormulaC10H12BrNO
Molecular Weight242.12 g/mol
Exact Mass241.01
IUPAC Name3-(5-bromo-2-methylphenyl)propanamide
SMILESCc1ccc(Br)cc1CCC(N)=O
InChIInChI=1S/C10H12BrNO/c1-7-2-4-9(11)6-8(7)3-5-10(12)13/h2,4,6H,3,5H2,1H3,(H2,12,13)
InChIKeySYJSLQOWQMRGRE-UHFFFAOYSA-N
XLogP2.18
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.12
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(5-bromo-2-methylphenyl)-N-methylpropanamide
CID 175640047
N'-[2-(5-bromo-2-methylphenyl)ethyl]-N'-methyloxamide
CID 115192249
3-(5-bromo-2-methylphenyl)-1-(4-methylpiperazin-1-yl)propan-1-one
CID 175640093
4-(5-bromo-2-methylphenyl)-2-methylbutanoic acid
CID 116926951
N-[2-(5-bromo-2-methylphenyl)ethyl]-4-oxopentanamide
CID 115176955
1-(5-bromo-2-methylphenyl)-3-chloropropan-2-one
CID 130766659
4-amino-N-[2-(5-bromo-2-methylphenyl)ethyl]-4-methylpentanamide
CID 115157613
2-amino-3-[2-(5-bromo-2-methylphenyl)ethylamino]-3-oxopropanoic acid
CID 115179465
1-amino-N-[2-(5-bromo-2-methylphenyl)ethyl]cyclopropane-1-carboxamide
CID 115189978
ethyl 2-[2-(5-bromo-2-methylphenyl)ethylamino]-2-oxoacetate
CID 115142069
5-[2-(5-bromo-2-methylphenyl)ethylamino]-5-oxopentanoic acid
CID 115163884
methyl 4-[2-(5-bromo-2-methylphenyl)ethylamino]butanoate
CID 115233497

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-methylphenyl)propanamide?
The IUPAC name of 3-(5-bromo-2-methylphenyl)propanamide (CID 175640046) is 3-(5-bromo-2-methylphenyl)propanamide.
What is the SMILES notation for 3-(5-bromo-2-methylphenyl)propanamide?
The canonical SMILES for 3-(5-bromo-2-methylphenyl)propanamide is Cc1ccc(Br)cc1CCC(N)=O.
What is the InChIKey of 3-(5-bromo-2-methylphenyl)propanamide?
The InChIKey is SYJSLQOWQMRGRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO/c1-7-2-4-9(11)6-8(7)3-5-10(12)13/h2,4,6H,3,5H2,1H3,(H2,12,13).
What are the key properties of 3-(5-bromo-2-methylphenyl)propanamide?
3-(5-bromo-2-methylphenyl)propanamide has a molecular weight of 242.12 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-methylphenyl)propanamide is sourced from PubChem (CID 175640046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).