2-amino-N-(2,4-dibromophenyl)-3-methylpentanamide

C12H16Br2N2O — CID 43702668

IUPAC2-amino-N-(2,4-dibromophenyl)-3-methylpentanamide
SMILESCCC(C)C(N)C(=O)Nc1ccc(Br)cc1Br
InChIInChI=1S/C12H16Br2N2O/c1-3-7(2)11(15)12(17)16-10-5-4-8(13)6-9(10)14/h4-7,11H,3,15H2,1-2H3,(H,16,17)
InChIKeyIAFUAFRVCDJYJB-UHFFFAOYSA-N
MW364.08 g/mol
LogP3.52
Rot. Bonds4

About 2-amino-N-(2,4-dibromophenyl)-3-methylpentanamide

2-amino-N-(2,4-dibromophenyl)-3-methylpentanamide (PubChem CID 43702668) has the molecular formula C12H16Br2N2O and a molecular weight of 364.08 g/mol. Its IUPAC name is 2-amino-N-(2,4-dibromophenyl)-3-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-(2,4-dibromophenyl)-3-methylpentanamide
PubChem CID43702668
Molecular FormulaC12H16Br2N2O
Molecular Weight364.08 g/mol
Exact Mass361.96
IUPAC Name2-amino-N-(2,4-dibromophenyl)-3-methylpentanamide
SMILESCCC(C)C(N)C(=O)Nc1ccc(Br)cc1Br
InChIInChI=1S/C12H16Br2N2O/c1-3-7(2)11(15)12(17)16-10-5-4-8(13)6-9(10)14/h4-7,11H,3,15H2,1-2H3,(H,16,17)
InChIKeyIAFUAFRVCDJYJB-UHFFFAOYSA-N
XLogP3.52
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.08
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-(4-bromo-2-fluorophenyl)-3-methylpentanamide
CID 61174208
(2S,3S)-2-amino-N-(5-bromo-2-methylphenyl)-3-methylpentanamide
CID 61178087
(2S,3S)-2-amino-N-(5-bromo-2-methoxyphenyl)-3-methylpentanamide
CID 54967599
2-amino-N-(4-bromo-2-nitrophenyl)-3-methylpentanamide
CID 43711584
(2S,3S)-2-amino-N-(4-bromophenyl)-3-methylpentanamide
CID 42313538
3-amino-N-(2,4-dibromophenyl)-2-methylpropanamide
CID 62669244
(2S)-2-amino-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-methylpentanamide
CID 61172298
(2S)-2-amino-N-(3-bromo-2-methylphenyl)-3-methylpentanamide
CID 103832917
5-amino-N-(2,4-dibromophenyl)-2-methylpentanamide
CID 113440855
(2S,3S)-2-amino-N-(4-chloro-2-fluorophenyl)-3-methylpentanamide
CID 61180794
2-amino-N-(2,5-dibromophenyl)-3-methylbutanamide
CID 43714180
2-amino-N-(2-ethylphenyl)-3-methylpentanamide
CID 24700876

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,4-dibromophenyl)-3-methylpentanamide?
The IUPAC name of 2-amino-N-(2,4-dibromophenyl)-3-methylpentanamide (CID 43702668) is 2-amino-N-(2,4-dibromophenyl)-3-methylpentanamide.
What is the SMILES notation for 2-amino-N-(2,4-dibromophenyl)-3-methylpentanamide?
The canonical SMILES for 2-amino-N-(2,4-dibromophenyl)-3-methylpentanamide is CCC(C)C(N)C(=O)Nc1ccc(Br)cc1Br.
What is the InChIKey of 2-amino-N-(2,4-dibromophenyl)-3-methylpentanamide?
The InChIKey is IAFUAFRVCDJYJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Br2N2O/c1-3-7(2)11(15)12(17)16-10-5-4-8(13)6-9(10)14/h4-7,11H,3,15H2,1-2H3,(H,16,17).
What are the key properties of 2-amino-N-(2,4-dibromophenyl)-3-methylpentanamide?
2-amino-N-(2,4-dibromophenyl)-3-methylpentanamide has a molecular weight of 364.08 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2,4-dibromophenyl)-3-methylpentanamide is sourced from PubChem (CID 43702668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).