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

C12H16Br2N2O — CID 113440855

IUPAC5-amino-N-(2,4-dibromophenyl)-2-methylpentanamide
SMILESCC(CCCN)C(=O)Nc1ccc(Br)cc1Br
InChIInChI=1S/C12H16Br2N2O/c1-8(3-2-6-15)12(17)16-11-5-4-9(13)7-10(11)14/h4-5,7-8H,2-3,6,15H2,1H3,(H,16,17)
InChIKeyFEEAAWKNJAUJTD-UHFFFAOYSA-N
MW364.08 g/mol
LogP3.53
Rot. Bonds5

About 5-amino-N-(2,4-dibromophenyl)-2-methylpentanamide

5-amino-N-(2,4-dibromophenyl)-2-methylpentanamide (PubChem CID 113440855) has the molecular formula C12H16Br2N2O and a molecular weight of 364.08 g/mol. Its IUPAC name is 5-amino-N-(2,4-dibromophenyl)-2-methylpentanamide.

Molecular Properties

Compound Name5-amino-N-(2,4-dibromophenyl)-2-methylpentanamide
PubChem CID113440855
Molecular FormulaC12H16Br2N2O
Molecular Weight364.08 g/mol
Exact Mass361.96
IUPAC Name5-amino-N-(2,4-dibromophenyl)-2-methylpentanamide
SMILESCC(CCCN)C(=O)Nc1ccc(Br)cc1Br
InChIInChI=1S/C12H16Br2N2O/c1-8(3-2-6-15)12(17)16-11-5-4-9(13)7-10(11)14/h4-5,7-8H,2-3,6,15H2,1H3,(H,16,17)
InChIKeyFEEAAWKNJAUJTD-UHFFFAOYSA-N
XLogP3.53
TPSA55.12 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 ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-amino-N-(2-bromo-4-chlorophenyl)-2-methylpentanamide
CID 113441065
5-amino-N-(2-bromo-4-fluorophenyl)-2-methylpentanamide
CID 104683578
3-amino-N-(2,4-dibromophenyl)-2-methylpropanamide
CID 62669244
5-amino-N-(4-hydroxy-2-methylphenyl)-2-methylpentanamide
CID 104685172
5-[(2,4-dibromophenyl)carbamoylamino]-2-methylpentanoic acid
CID 104686390
5-amino-2-methyl-N-(2,4,5-trifluorophenyl)pentanamide
CID 104685005
2-amino-N-(2,4-dibromophenyl)-3-methylpentanamide
CID 43702668
5-[(5-amino-2-methylpentanoyl)amino]-2-bromobenzoic acid
CID 112547696
2-[(5-amino-2-methylpentanoyl)amino]-5-fluorobenzoic acid
CID 112547816
(2R)-N-(4-bromo-2-methylphenyl)-2-methylpentanamide
CID 884269
3-amino-N-(2-bromo-4-fluorophenyl)-2-methylpropanamide
CID 62670318
5-amino-N-(2-bromo-4,6-dimethylphenyl)-2-methylpentanamide
CID 113441079

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2,4-dibromophenyl)-2-methylpentanamide?
The IUPAC name of 5-amino-N-(2,4-dibromophenyl)-2-methylpentanamide (CID 113440855) is 5-amino-N-(2,4-dibromophenyl)-2-methylpentanamide.
What is the SMILES notation for 5-amino-N-(2,4-dibromophenyl)-2-methylpentanamide?
The canonical SMILES for 5-amino-N-(2,4-dibromophenyl)-2-methylpentanamide is CC(CCCN)C(=O)Nc1ccc(Br)cc1Br.
What is the InChIKey of 5-amino-N-(2,4-dibromophenyl)-2-methylpentanamide?
The InChIKey is FEEAAWKNJAUJTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Br2N2O/c1-8(3-2-6-15)12(17)16-11-5-4-9(13)7-10(11)14/h4-5,7-8H,2-3,6,15H2,1H3,(H,16,17).
What are the key properties of 5-amino-N-(2,4-dibromophenyl)-2-methylpentanamide?
5-amino-N-(2,4-dibromophenyl)-2-methylpentanamide has a molecular weight of 364.08 g/mol, XLogP of 3.53, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2,4-dibromophenyl)-2-methylpentanamide is sourced from PubChem (CID 113440855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).