3-(5-bromo-2-methylphenyl)-N-methylpropanamide

C11H14BrNO — CID 175640047

IUPAC3-(5-bromo-2-methylphenyl)-N-methylpropanamide
SMILESCNC(=O)CCc1cc(Br)ccc1C
InChIInChI=1S/C11H14BrNO/c1-8-3-5-10(12)7-9(8)4-6-11(14)13-2/h3,5,7H,4,6H2,1-2H3,(H,13,14)
InChIKeyDEQIVZGHJVJNSM-UHFFFAOYSA-N
MW256.14 g/mol
LogP2.44
Rot. Bonds3

About 3-(5-bromo-2-methylphenyl)-N-methylpropanamide

3-(5-bromo-2-methylphenyl)-N-methylpropanamide (PubChem CID 175640047) has the molecular formula C11H14BrNO and a molecular weight of 256.14 g/mol. Its IUPAC name is 3-(5-bromo-2-methylphenyl)-N-methylpropanamide.

Molecular Properties

Compound Name3-(5-bromo-2-methylphenyl)-N-methylpropanamide
PubChem CID175640047
Molecular FormulaC11H14BrNO
Molecular Weight256.14 g/mol
Exact Mass255.03
IUPAC Name3-(5-bromo-2-methylphenyl)-N-methylpropanamide
SMILESCNC(=O)CCc1cc(Br)ccc1C
InChIInChI=1S/C11H14BrNO/c1-8-3-5-10(12)7-9(8)4-6-11(14)13-2/h3,5,7H,4,6H2,1-2H3,(H,13,14)
InChIKeyDEQIVZGHJVJNSM-UHFFFAOYSA-N
XLogP2.44
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.14
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(5-bromo-2-methylphenyl)propanamide
CID 175640046
N-[2-(5-bromo-2-methylphenyl)ethyl]-4-oxopentanamide
CID 115176955
5-bromo-2-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 65309624
5-[2-(5-bromo-2-methylphenyl)ethylamino]-5-oxopentanoic acid
CID 115163884
1-[(5-bromo-2-methylphenyl)methyl]-1,3-dimethylurea
CID 115169289
4-amino-N-[2-(5-bromo-2-methylphenyl)ethyl]-4-methylpentanamide
CID 115157613
N-[(5-bromo-2-methylphenyl)methyl]-2-chloroacetamide
CID 115162022
methyl 4-[2-(5-bromo-2-methylphenyl)ethylamino]butanoate
CID 115233497
3-(5-bromo-2-methylphenyl)-1-(4-methylpiperazin-1-yl)propan-1-one
CID 175640093
3-(5-bromo-2-fluorophenyl)-N'-methylpropanehydrazide
CID 116846409
2-[2-(5-bromo-2-methylphenyl)ethylamino]-2-methylpropanoic acid
CID 115128110
3-[(5-bromo-2-methylphenyl)sulfonyl-methylamino]-N-methylpropanamide
CID 113230949

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-methylphenyl)-N-methylpropanamide?
The IUPAC name of 3-(5-bromo-2-methylphenyl)-N-methylpropanamide (CID 175640047) is 3-(5-bromo-2-methylphenyl)-N-methylpropanamide.
What is the SMILES notation for 3-(5-bromo-2-methylphenyl)-N-methylpropanamide?
The canonical SMILES for 3-(5-bromo-2-methylphenyl)-N-methylpropanamide is CNC(=O)CCc1cc(Br)ccc1C.
What is the InChIKey of 3-(5-bromo-2-methylphenyl)-N-methylpropanamide?
The InChIKey is DEQIVZGHJVJNSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO/c1-8-3-5-10(12)7-9(8)4-6-11(14)13-2/h3,5,7H,4,6H2,1-2H3,(H,13,14).
What are the key properties of 3-(5-bromo-2-methylphenyl)-N-methylpropanamide?
3-(5-bromo-2-methylphenyl)-N-methylpropanamide has a molecular weight of 256.14 g/mol, XLogP of 2.44, 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)-N-methylpropanamide is sourced from PubChem (CID 175640047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).