2-[1-(2,4-dibromophenyl)ethylamino]-3-methylbutanamide

C13H18Br2N2O — CID 106344290

IUPAC2-[1-(2,4-dibromophenyl)ethylamino]-3-methylbutanamide
SMILESCC(NC(C(N)=O)C(C)C)c1ccc(Br)cc1Br
InChIInChI=1S/C13H18Br2N2O/c1-7(2)12(13(16)18)17-8(3)10-5-4-9(14)6-11(10)15/h4-8,12,17H,1-3H3,(H2,16,18)
InChIKeyYXSWJUDWKVJTMN-UHFFFAOYSA-N
MW378.11 g/mol
LogP3.37
Rot. Bonds5

About 2-[1-(2,4-dibromophenyl)ethylamino]-3-methylbutanamide

2-[1-(2,4-dibromophenyl)ethylamino]-3-methylbutanamide (PubChem CID 106344290) has the molecular formula C13H18Br2N2O and a molecular weight of 378.11 g/mol. Its IUPAC name is 2-[1-(2,4-dibromophenyl)ethylamino]-3-methylbutanamide.

Molecular Properties

Compound Name2-[1-(2,4-dibromophenyl)ethylamino]-3-methylbutanamide
PubChem CID106344290
Molecular FormulaC13H18Br2N2O
Molecular Weight378.11 g/mol
Exact Mass375.98
IUPAC Name2-[1-(2,4-dibromophenyl)ethylamino]-3-methylbutanamide
SMILESCC(NC(C(N)=O)C(C)C)c1ccc(Br)cc1Br
InChIInChI=1S/C13H18Br2N2O/c1-7(2)12(13(16)18)17-8(3)10-5-4-9(14)6-11(10)15/h4-8,12,17H,1-3H3,(H2,16,18)
InChIKeyYXSWJUDWKVJTMN-UHFFFAOYSA-N
XLogP3.37
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.11
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(2-bromo-4-fluorophenyl)ethylamino]-3-methylbutanamide
CID 106344381
2-[1-(2,4-dibromophenyl)ethylamino]acetamide
CID 60781147
(2S)-2-[1-(2,4-dibromophenyl)ethylamino]-3-methylbutan-1-ol
CID 79250446
N-[1-(2,4-dibromophenyl)ethyl]butan-2-amine
CID 60781142
2-[1-(4-bromo-2-chlorophenyl)ethylamino]-3-methylbutanoic acid
CID 82773931
3-methyl-2-[1-(2,4,5-trimethylphenyl)ethylamino]butanamide
CID 106344280
3-[[(1R)-1-(2,4-dibromophenyl)ethyl]amino]-2,2-dimethylpropanamide
CID 97258604
4-[1-(2,4-dibromophenyl)ethylamino]benzamide
CID 60781228
2-[1-(3-bromothiophen-2-yl)ethylamino]-3-methylbutanamide
CID 106344151
2-[1-(5-fluoro-2-hydroxyphenyl)ethylamino]-3-methylbutanamide
CID 106344408
2-[1-(2,4-dibromophenyl)ethylamino]-N,N,4-trimethylpentanamide
CID 60781725
2-[4-[1-(2,4-dibromophenyl)ethylamino]phenyl]acetamide
CID 60782010

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,4-dibromophenyl)ethylamino]-3-methylbutanamide?
The IUPAC name of 2-[1-(2,4-dibromophenyl)ethylamino]-3-methylbutanamide (CID 106344290) is 2-[1-(2,4-dibromophenyl)ethylamino]-3-methylbutanamide.
What is the SMILES notation for 2-[1-(2,4-dibromophenyl)ethylamino]-3-methylbutanamide?
The canonical SMILES for 2-[1-(2,4-dibromophenyl)ethylamino]-3-methylbutanamide is CC(NC(C(N)=O)C(C)C)c1ccc(Br)cc1Br.
What is the InChIKey of 2-[1-(2,4-dibromophenyl)ethylamino]-3-methylbutanamide?
The InChIKey is YXSWJUDWKVJTMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Br2N2O/c1-7(2)12(13(16)18)17-8(3)10-5-4-9(14)6-11(10)15/h4-8,12,17H,1-3H3,(H2,16,18).
What are the key properties of 2-[1-(2,4-dibromophenyl)ethylamino]-3-methylbutanamide?
2-[1-(2,4-dibromophenyl)ethylamino]-3-methylbutanamide has a molecular weight of 378.11 g/mol, XLogP of 3.37, 5 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]-3-methylbutanamide is sourced from PubChem (CID 106344290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).