2-(3-bromophenyl)-N-(2-bromopropyl)-N-methylacetamide

C12H15Br2NO — CID 80665086

IUPAC2-(3-bromophenyl)-N-(2-bromopropyl)-N-methylacetamide
SMILESCC(Br)CN(C)C(=O)Cc1cccc(Br)c1
InChIInChI=1S/C12H15Br2NO/c1-9(13)8-15(2)12(16)7-10-4-3-5-11(14)6-10/h3-6,9H,7-8H2,1-2H3
InChIKeySZNRUNFEYIJOSJ-UHFFFAOYSA-N
MW349.07 g/mol
LogP3.23
Rot. Bonds4

About 2-(3-bromophenyl)-N-(2-bromopropyl)-N-methylacetamide

2-(3-bromophenyl)-N-(2-bromopropyl)-N-methylacetamide (PubChem CID 80665086) has the molecular formula C12H15Br2NO and a molecular weight of 349.07 g/mol. Its IUPAC name is 2-(3-bromophenyl)-N-(2-bromopropyl)-N-methylacetamide.

Molecular Properties

Compound Name2-(3-bromophenyl)-N-(2-bromopropyl)-N-methylacetamide
PubChem CID80665086
Molecular FormulaC12H15Br2NO
Molecular Weight349.07 g/mol
Exact Mass346.95
IUPAC Name2-(3-bromophenyl)-N-(2-bromopropyl)-N-methylacetamide
SMILESCC(Br)CN(C)C(=O)Cc1cccc(Br)c1
InChIInChI=1S/C12H15Br2NO/c1-9(13)8-15(2)12(16)7-10-4-3-5-11(14)6-10/h3-6,9H,7-8H2,1-2H3
InChIKeySZNRUNFEYIJOSJ-UHFFFAOYSA-N
XLogP3.23
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.07
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromopropyl)-2-(4-fluorophenyl)-N-methylacetamide
CID 80665709
N-(2-bromopropyl)-2-(4-chlorophenyl)-N-methylacetamide
CID 80666327
N-(3-amino-2,2-dimethylpropyl)-2-(3-bromophenyl)-N-methylacetamide
CID 79652403
2-(3-bromophenyl)-N-methyl-N-phenylacetamide
CID 22341541
N-[(3-bromophenyl)methyl]-2-(4-hydroxyphenyl)-N-methylacetamide
CID 61416728
2-(3-bromophenyl)-N-(3-hydroxyphenyl)-N-methylacetamide
CID 107735949
N-(2-bromopropyl)-N-methyl-3-phenylpropanamide
CID 80666025
N-(2-chloropropyl)-2-(3-fluorophenyl)-N-methylacetamide
CID 63393863
N-[(3-bromophenyl)methyl]-N-methyl-2-pyridin-3-ylacetamide
CID 62690187
2-(3-bromophenyl)-N-methyl-N-[(1R)-1-pyridin-3-ylethyl]acetamide
CID 95690418
N-(2-bromopropyl)-2-(2,5-dimethylphenyl)-N-methylacetamide
CID 80666132
N-[(3-bromophenyl)methyl]-N-methyl-2-(propan-2-ylamino)acetamide
CID 61041591

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-N-(2-bromopropyl)-N-methylacetamide?
The IUPAC name of 2-(3-bromophenyl)-N-(2-bromopropyl)-N-methylacetamide (CID 80665086) is 2-(3-bromophenyl)-N-(2-bromopropyl)-N-methylacetamide.
What is the SMILES notation for 2-(3-bromophenyl)-N-(2-bromopropyl)-N-methylacetamide?
The canonical SMILES for 2-(3-bromophenyl)-N-(2-bromopropyl)-N-methylacetamide is CC(Br)CN(C)C(=O)Cc1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)-N-(2-bromopropyl)-N-methylacetamide?
The InChIKey is SZNRUNFEYIJOSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Br2NO/c1-9(13)8-15(2)12(16)7-10-4-3-5-11(14)6-10/h3-6,9H,7-8H2,1-2H3.
What are the key properties of 2-(3-bromophenyl)-N-(2-bromopropyl)-N-methylacetamide?
2-(3-bromophenyl)-N-(2-bromopropyl)-N-methylacetamide has a molecular weight of 349.07 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-N-(2-bromopropyl)-N-methylacetamide is sourced from PubChem (CID 80665086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).