2-[1-(2,4-dibromophenyl)ethylamino]-N-propylacetamide

C13H18Br2N2O — CID 60781734

IUPAC2-[1-(2,4-dibromophenyl)ethylamino]-N-propylacetamide
SMILESCCCNC(=O)CNC(C)c1ccc(Br)cc1Br
InChIInChI=1S/C13H18Br2N2O/c1-3-6-16-13(18)8-17-9(2)11-5-4-10(14)7-12(11)15/h4-5,7,9,17H,3,6,8H2,1-2H3,(H,16,18)
InChIKeyXDPQLLIXEHSCOP-UHFFFAOYSA-N
MW378.11 g/mol
LogP3.39
Rot. Bonds6

About 2-[1-(2,4-dibromophenyl)ethylamino]-N-propylacetamide

2-[1-(2,4-dibromophenyl)ethylamino]-N-propylacetamide (PubChem CID 60781734) has the molecular formula C13H18Br2N2O and a molecular weight of 378.11 g/mol. Its IUPAC name is 2-[1-(2,4-dibromophenyl)ethylamino]-N-propylacetamide.

Molecular Properties

Compound Name2-[1-(2,4-dibromophenyl)ethylamino]-N-propylacetamide
PubChem CID60781734
Molecular FormulaC13H18Br2N2O
Molecular Weight378.11 g/mol
Exact Mass375.98
IUPAC Name2-[1-(2,4-dibromophenyl)ethylamino]-N-propylacetamide
SMILESCCCNC(=O)CNC(C)c1ccc(Br)cc1Br
InChIInChI=1S/C13H18Br2N2O/c1-3-6-16-13(18)8-17-9(2)11-5-4-10(14)7-12(11)15/h4-5,7,9,17H,3,6,8H2,1-2H3,(H,16,18)
InChIKeyXDPQLLIXEHSCOP-UHFFFAOYSA-N
XLogP3.39
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.11
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(2,4-dibromophenyl)ethylamino]acetamide
CID 60781147
2-[1-(2,4-difluorophenyl)ethylamino]-N-propylacetamide
CID 43401006
2-[1-(4-bromo-2-fluorophenyl)ethylamino]-N-ethylacetamide
CID 82963648
2-[1-(2-fluorophenyl)ethylamino]-N-propylacetamide
CID 43400999
3-[[(1R)-1-(2,4-dibromophenyl)ethyl]amino]-2,2-dimethylpropanamide
CID 97258604
2-[4-bromo-2-[1-(ethylamino)ethyl]phenoxy]-N-propylpropanamide
CID 62392946
5-bromo-2-[1-(propylamino)ethyl]phenol
CID 82976016
2-[[(1S)-1-(4-bromo-2-fluorophenyl)ethyl]amino]-N-(cyclopropylmethyl)acetamide
CID 99626334
N-cyclopropyl-4-[1-(2,4-dibromophenyl)ethylamino]butanamide
CID 79394511
N-[1-(2,4-dibromophenyl)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 60781144
2-[1-(4-bromophenyl)ethylamino]-N-ethylacetamide
CID 43400964
5-bromo-2-methyl-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 65306800

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,4-dibromophenyl)ethylamino]-N-propylacetamide?
The IUPAC name of 2-[1-(2,4-dibromophenyl)ethylamino]-N-propylacetamide (CID 60781734) is 2-[1-(2,4-dibromophenyl)ethylamino]-N-propylacetamide.
What is the SMILES notation for 2-[1-(2,4-dibromophenyl)ethylamino]-N-propylacetamide?
The canonical SMILES for 2-[1-(2,4-dibromophenyl)ethylamino]-N-propylacetamide is CCCNC(=O)CNC(C)c1ccc(Br)cc1Br.
What is the InChIKey of 2-[1-(2,4-dibromophenyl)ethylamino]-N-propylacetamide?
The InChIKey is XDPQLLIXEHSCOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Br2N2O/c1-3-6-16-13(18)8-17-9(2)11-5-4-10(14)7-12(11)15/h4-5,7,9,17H,3,6,8H2,1-2H3,(H,16,18).
What are the key properties of 2-[1-(2,4-dibromophenyl)ethylamino]-N-propylacetamide?
2-[1-(2,4-dibromophenyl)ethylamino]-N-propylacetamide has a molecular weight of 378.11 g/mol, XLogP of 3.39, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,4-dibromophenyl)ethylamino]-N-propylacetamide is sourced from PubChem (CID 60781734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).