5-bromo-N-(2,6-dichloro-3-methylphenyl)pentanamide

C12H14BrCl2NO — CID 107907179

IUPAC5-bromo-N-(2,6-dichloro-3-methylphenyl)pentanamide
SMILESCc1ccc(Cl)c(NC(=O)CCCCBr)c1Cl
InChIInChI=1S/C12H14BrCl2NO/c1-8-5-6-9(14)12(11(8)15)16-10(17)4-2-3-7-13/h5-6H,2-4,7H2,1H3,(H,16,17)
InChIKeyBUBFXPDIEYBGSL-UHFFFAOYSA-N
MW339.06 g/mol
LogP4.81
Rot. Bonds5

About 5-bromo-N-(2,6-dichloro-3-methylphenyl)pentanamide

5-bromo-N-(2,6-dichloro-3-methylphenyl)pentanamide (PubChem CID 107907179) has the molecular formula C12H14BrCl2NO and a molecular weight of 339.06 g/mol. Its IUPAC name is 5-bromo-N-(2,6-dichloro-3-methylphenyl)pentanamide.

Molecular Properties

Compound Name5-bromo-N-(2,6-dichloro-3-methylphenyl)pentanamide
PubChem CID107907179
Molecular FormulaC12H14BrCl2NO
Molecular Weight339.06 g/mol
Exact Mass336.96
IUPAC Name5-bromo-N-(2,6-dichloro-3-methylphenyl)pentanamide
SMILESCc1ccc(Cl)c(NC(=O)CCCCBr)c1Cl
InChIInChI=1S/C12H14BrCl2NO/c1-8-5-6-9(14)12(11(8)15)16-10(17)4-2-3-7-13/h5-6H,2-4,7H2,1H3,(H,16,17)
InChIKeyBUBFXPDIEYBGSL-UHFFFAOYSA-N
XLogP4.81
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.06
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

6-(2,6-dichloro-3-methylanilino)-6-oxohexanoic acid
CID 43529433
3-(2,6-dichloro-3-methylanilino)-3-oxopropanoic acid
CID 62231070
5-bromo-N-(2,4,6-trichlorophenyl)pentanamide
CID 103601704
2-(tert-butylamino)-N-(2,6-dichloro-3-methylphenyl)acetamide
CID 27149947
N-(2,6-dichloro-3-methylphenyl)-2-ethoxyacetamide
CID 64591166
[2-(2,6-dichloro-3-methylanilino)-2-oxoethyl]-[2-(methylamino)-2-oxoethyl]azanium
CID 8771647
(3Z)-3-amino-N-(2,6-dichloro-3-methylphenyl)-3-hydroxyiminopropanamide
CID 43156022
N-(2,6-dichloro-3-methylphenyl)-3-piperidin-4-ylpropanamide
CID 62211874
5-bromo-N-(2,3-dichlorophenyl)pentanamide
CID 103601714
2-azido-N-(2,6-dichloro-3-methylphenyl)acetamide
CID 61373651
2-(butan-2-ylamino)-N-(2,6-dichloro-3-methylphenyl)acetamide
CID 60646972
2-[[2-(2,6-dichloro-3-methylanilino)-2-oxoethyl]amino]-2-methylpropanoic acid
CID 65263564

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2,6-dichloro-3-methylphenyl)pentanamide?
The IUPAC name of 5-bromo-N-(2,6-dichloro-3-methylphenyl)pentanamide (CID 107907179) is 5-bromo-N-(2,6-dichloro-3-methylphenyl)pentanamide.
What is the SMILES notation for 5-bromo-N-(2,6-dichloro-3-methylphenyl)pentanamide?
The canonical SMILES for 5-bromo-N-(2,6-dichloro-3-methylphenyl)pentanamide is Cc1ccc(Cl)c(NC(=O)CCCCBr)c1Cl.
What is the InChIKey of 5-bromo-N-(2,6-dichloro-3-methylphenyl)pentanamide?
The InChIKey is BUBFXPDIEYBGSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrCl2NO/c1-8-5-6-9(14)12(11(8)15)16-10(17)4-2-3-7-13/h5-6H,2-4,7H2,1H3,(H,16,17).
What are the key properties of 5-bromo-N-(2,6-dichloro-3-methylphenyl)pentanamide?
5-bromo-N-(2,6-dichloro-3-methylphenyl)pentanamide has a molecular weight of 339.06 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2,6-dichloro-3-methylphenyl)pentanamide is sourced from PubChem (CID 107907179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).