2-(2,6-dibromo-4-methylanilino)-N-propylacetamide

C12H16Br2N2O — CID 28991483

IUPAC2-(2,6-dibromo-4-methylanilino)-N-propylacetamide
SMILESCCCNC(=O)CNc1c(Br)cc(C)cc1Br
InChIInChI=1S/C12H16Br2N2O/c1-3-4-15-11(17)7-16-12-9(13)5-8(2)6-10(12)14/h5-6,16H,3-4,7H2,1-2H3,(H,15,17)
InChIKeyUCWSOMLQIREWRB-UHFFFAOYSA-N
MW364.08 g/mol
LogP3.46
Rot. Bonds5

About 2-(2,6-dibromo-4-methylanilino)-N-propylacetamide

2-(2,6-dibromo-4-methylanilino)-N-propylacetamide (PubChem CID 28991483) has the molecular formula C12H16Br2N2O and a molecular weight of 364.08 g/mol. Its IUPAC name is 2-(2,6-dibromo-4-methylanilino)-N-propylacetamide.

Molecular Properties

Compound Name2-(2,6-dibromo-4-methylanilino)-N-propylacetamide
PubChem CID28991483
Molecular FormulaC12H16Br2N2O
Molecular Weight364.08 g/mol
Exact Mass361.96
IUPAC Name2-(2,6-dibromo-4-methylanilino)-N-propylacetamide
SMILESCCCNC(=O)CNc1c(Br)cc(C)cc1Br
InChIInChI=1S/C12H16Br2N2O/c1-3-4-15-11(17)7-16-12-9(13)5-8(2)6-10(12)14/h5-6,16H,3-4,7H2,1-2H3,(H,15,17)
InChIKeyUCWSOMLQIREWRB-UHFFFAOYSA-N
XLogP3.46
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.08
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,6-dibromoanilino)-N-propylacetamide
CID 107598911
2-(2-bromo-5-methylanilino)-N-propylacetamide
CID 82714044
N-(2,6-dibromo-4-methylphenyl)-2-(propylamino)acetamide
CID 60648396
2-(2,6-dibromo-4-methylanilino)-N-phenylacetamide
CID 28887968
N-ethyl-2-(2,4,6-trimethylanilino)acetamide
CID 54812059
2-(2,6-dibromo-4-methylanilino)-N-(4-fluorophenyl)acetamide
CID 28991479
2-(4-bromo-2,5-difluoroanilino)-N-propylacetamide
CID 103843113
butyl 2-(2,6-dibromo-4-methylanilino)acetate
CID 60823263
3,5-dimethyl-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 27256307
N-[2-(dimethylamino)ethyl]-2-(2,4,6-trimethylanilino)acetamide
CID 108994656
3-(2-bromo-4-methylanilino)-N-propylpropanamide
CID 109011445
2-[(3,5-dimethylphenyl)methylamino]-N-propylacetamide
CID 54940546

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dibromo-4-methylanilino)-N-propylacetamide?
The IUPAC name of 2-(2,6-dibromo-4-methylanilino)-N-propylacetamide (CID 28991483) is 2-(2,6-dibromo-4-methylanilino)-N-propylacetamide.
What is the SMILES notation for 2-(2,6-dibromo-4-methylanilino)-N-propylacetamide?
The canonical SMILES for 2-(2,6-dibromo-4-methylanilino)-N-propylacetamide is CCCNC(=O)CNc1c(Br)cc(C)cc1Br.
What is the InChIKey of 2-(2,6-dibromo-4-methylanilino)-N-propylacetamide?
The InChIKey is UCWSOMLQIREWRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Br2N2O/c1-3-4-15-11(17)7-16-12-9(13)5-8(2)6-10(12)14/h5-6,16H,3-4,7H2,1-2H3,(H,15,17).
What are the key properties of 2-(2,6-dibromo-4-methylanilino)-N-propylacetamide?
2-(2,6-dibromo-4-methylanilino)-N-propylacetamide has a molecular weight of 364.08 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dibromo-4-methylanilino)-N-propylacetamide is sourced from PubChem (CID 28991483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).