N-(2,6-dibromo-4-methylphenyl)-2-(propylamino)acetamide

C12H16Br2N2O — CID 60648396

IUPACN-(2,6-dibromo-4-methylphenyl)-2-(propylamino)acetamide
SMILESCCCNCC(=O)Nc1c(Br)cc(C)cc1Br
InChIInChI=1S/C12H16Br2N2O/c1-3-4-15-7-11(17)16-12-9(13)5-8(2)6-10(12)14/h5-6,15H,3-4,7H2,1-2H3,(H,16,17)
InChIKeyCSGQNENEDUBALI-UHFFFAOYSA-N
MW364.08 g/mol
LogP3.46
Rot. Bonds5

About N-(2,6-dibromo-4-methylphenyl)-2-(propylamino)acetamide

N-(2,6-dibromo-4-methylphenyl)-2-(propylamino)acetamide (PubChem CID 60648396) has the molecular formula C12H16Br2N2O and a molecular weight of 364.08 g/mol. Its IUPAC name is N-(2,6-dibromo-4-methylphenyl)-2-(propylamino)acetamide.

Molecular Properties

Compound NameN-(2,6-dibromo-4-methylphenyl)-2-(propylamino)acetamide
PubChem CID60648396
Molecular FormulaC12H16Br2N2O
Molecular Weight364.08 g/mol
Exact Mass361.96
IUPAC NameN-(2,6-dibromo-4-methylphenyl)-2-(propylamino)acetamide
SMILESCCCNCC(=O)Nc1c(Br)cc(C)cc1Br
InChIInChI=1S/C12H16Br2N2O/c1-3-4-15-7-11(17)16-12-9(13)5-8(2)6-10(12)14/h5-6,15H,3-4,7H2,1-2H3,(H,16,17)
InChIKeyCSGQNENEDUBALI-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

Computed Properties (RDKit)

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

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Related Compounds

2-(2,6-dibromo-4-methylanilino)-N-propylacetamide
CID 28991483
N-(2,6-dibromo-4-methylphenyl)-2-(propan-2-ylamino)acetamide
CID 54917894
3-bromo-N-(2,6-dibromo-4-methylphenyl)propanamide
CID 115571577
1-butyl-3-(2,6-dibromo-4-methylphenyl)urea
CID 115569894
N-(3-bromo-4-fluorophenyl)-2-(propylamino)acetamide
CID 104778142
N-(4-bromo-2-fluorophenyl)-2-(propylamino)acetamide
CID 60648489
ethyl N-(2,6-dibromo-4-methylphenyl)carbamate
CID 60651437
6-(2,6-dibromo-4-methylanilino)-6-oxohexanoic acid
CID 54867481
2-[[2-(2,6-dibromo-4-methylanilino)-2-oxoethyl]-propylamino]acetic acid
CID 61008368
3-bromo-2-(butanoylamino)-5-methylbenzoic acid
CID 47069657
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

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dibromo-4-methylphenyl)-2-(propylamino)acetamide?
The IUPAC name of N-(2,6-dibromo-4-methylphenyl)-2-(propylamino)acetamide (CID 60648396) is N-(2,6-dibromo-4-methylphenyl)-2-(propylamino)acetamide.
What is the SMILES notation for N-(2,6-dibromo-4-methylphenyl)-2-(propylamino)acetamide?
The canonical SMILES for N-(2,6-dibromo-4-methylphenyl)-2-(propylamino)acetamide is CCCNCC(=O)Nc1c(Br)cc(C)cc1Br.
What is the InChIKey of N-(2,6-dibromo-4-methylphenyl)-2-(propylamino)acetamide?
The InChIKey is CSGQNENEDUBALI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Br2N2O/c1-3-4-15-7-11(17)16-12-9(13)5-8(2)6-10(12)14/h5-6,15H,3-4,7H2,1-2H3,(H,16,17).
What are the key properties of N-(2,6-dibromo-4-methylphenyl)-2-(propylamino)acetamide?
N-(2,6-dibromo-4-methylphenyl)-2-(propylamino)acetamide 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 N-(2,6-dibromo-4-methylphenyl)-2-(propylamino)acetamide is sourced from PubChem (CID 60648396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).