3-bromo-N-(2,6-dibromo-4-methylphenyl)propanamide

C10H10Br3NO — CID 115571577

IUPAC3-bromo-N-(2,6-dibromo-4-methylphenyl)propanamide
SMILESCc1cc(Br)c(NC(=O)CCBr)c(Br)c1
InChIInChI=1S/C10H10Br3NO/c1-6-4-7(12)10(8(13)5-6)14-9(15)2-3-11/h4-5H,2-3H2,1H3,(H,14,15)
InChIKeyXQNZWNQHAJULFW-UHFFFAOYSA-N
MW399.91 g/mol
LogP4.24
Rot. Bonds3

About 3-bromo-N-(2,6-dibromo-4-methylphenyl)propanamide

3-bromo-N-(2,6-dibromo-4-methylphenyl)propanamide (PubChem CID 115571577) has the molecular formula C10H10Br3NO and a molecular weight of 399.91 g/mol. Its IUPAC name is 3-bromo-N-(2,6-dibromo-4-methylphenyl)propanamide.

Molecular Properties

Compound Name3-bromo-N-(2,6-dibromo-4-methylphenyl)propanamide
PubChem CID115571577
Molecular FormulaC10H10Br3NO
Molecular Weight399.91 g/mol
Exact Mass396.83
IUPAC Name3-bromo-N-(2,6-dibromo-4-methylphenyl)propanamide
SMILESCc1cc(Br)c(NC(=O)CCBr)c(Br)c1
InChIInChI=1S/C10H10Br3NO/c1-6-4-7(12)10(8(13)5-6)14-9(15)2-3-11/h4-5H,2-3H2,1H3,(H,14,15)
InChIKeyXQNZWNQHAJULFW-UHFFFAOYSA-N
XLogP4.24
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.91
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-(2,6-dibromo-4-methylanilino)-6-oxohexanoic acid
CID 54867481
N-(2,6-dibromo-4-methylphenyl)-2-(propan-2-ylamino)acetamide
CID 54917894
N-(2,6-dibromo-4-methylphenyl)-2-(propylamino)acetamide
CID 60648396
3-bromo-2-(butanoylamino)-5-methylbenzoic acid
CID 47069657
4-bromo-N-(2,4,6-trimethylphenyl)butanamide
CID 18423533
3-(2-aminophenyl)-N-(2,6-dibromo-4-methylphenyl)propanamide
CID 107272746
2-[[2-(2,6-dibromo-4-methylanilino)-2-oxoethyl]-ethylamino]acetic acid
CID 61012552
3-[2-(2,6-dibromo-4-methylanilino)-2-oxoethyl]sulfanylpropanoic acid
CID 43237306
methyl N-(2,6-dibromo-4-methylphenyl)carbamate
CID 116654064
2-[[2-(2,6-dibromo-4-methylanilino)-2-oxoethyl]-propylamino]acetic acid
CID 61008368
ethyl N-(2,6-dibromo-4-methylphenyl)carbamate
CID 60651437
N-(2,6-dibromo-4-methylphenyl)-2,2-dimethylpropanamide
CID 60629516

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2,6-dibromo-4-methylphenyl)propanamide?
The IUPAC name of 3-bromo-N-(2,6-dibromo-4-methylphenyl)propanamide (CID 115571577) is 3-bromo-N-(2,6-dibromo-4-methylphenyl)propanamide.
What is the SMILES notation for 3-bromo-N-(2,6-dibromo-4-methylphenyl)propanamide?
The canonical SMILES for 3-bromo-N-(2,6-dibromo-4-methylphenyl)propanamide is Cc1cc(Br)c(NC(=O)CCBr)c(Br)c1.
What is the InChIKey of 3-bromo-N-(2,6-dibromo-4-methylphenyl)propanamide?
The InChIKey is XQNZWNQHAJULFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Br3NO/c1-6-4-7(12)10(8(13)5-6)14-9(15)2-3-11/h4-5H,2-3H2,1H3,(H,14,15).
What are the key properties of 3-bromo-N-(2,6-dibromo-4-methylphenyl)propanamide?
3-bromo-N-(2,6-dibromo-4-methylphenyl)propanamide has a molecular weight of 399.91 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2,6-dibromo-4-methylphenyl)propanamide is sourced from PubChem (CID 115571577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).