2-amino-N-(3,5-dibromo-4-hydroxyphenyl)-4-methylpentanamide

C12H16Br2N2O2 — CID 13419970

IUPAC2-amino-N-(3,5-dibromo-4-hydroxyphenyl)-4-methylpentanamide
SMILESCC(C)CC(N)C(=O)Nc1cc(Br)c(O)c(Br)c1
InChIInChI=1S/C12H16Br2N2O2/c1-6(2)3-10(15)12(18)16-7-4-8(13)11(17)9(14)5-7/h4-6,10,17H,3,15H2,1-2H3,(H,16,18)
InChIKeyUQWSQRFPXSZUPR-UHFFFAOYSA-N
MW380.08 g/mol
LogP3.23
Rot. Bonds4

About 2-amino-N-(3,5-dibromo-4-hydroxyphenyl)-4-methylpentanamide

2-amino-N-(3,5-dibromo-4-hydroxyphenyl)-4-methylpentanamide (PubChem CID 13419970) has the molecular formula C12H16Br2N2O2 and a molecular weight of 380.08 g/mol. Its IUPAC name is 2-amino-N-(3,5-dibromo-4-hydroxyphenyl)-4-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-(3,5-dibromo-4-hydroxyphenyl)-4-methylpentanamide
PubChem CID13419970
Molecular FormulaC12H16Br2N2O2
Molecular Weight380.08 g/mol
Exact Mass377.96
IUPAC Name2-amino-N-(3,5-dibromo-4-hydroxyphenyl)-4-methylpentanamide
SMILESCC(C)CC(N)C(=O)Nc1cc(Br)c(O)c(Br)c1
InChIInChI=1S/C12H16Br2N2O2/c1-6(2)3-10(15)12(18)16-7-4-8(13)11(17)9(14)5-7/h4-6,10,17H,3,15H2,1-2H3,(H,16,18)
InChIKeyUQWSQRFPXSZUPR-UHFFFAOYSA-N
XLogP3.23
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.08
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-amino-N-(6-bromonaphthalen-2-yl)-4-methylpentanamide
CID 104903779
5-[(2-amino-4-methylpentanoyl)amino]benzene-1,3-dicarboxylic acid
CID 61162411
2-amino-N-(4-hydroxyphenyl)-4-methylpentanamide
CID 22768242
(2R)-2-amino-N-(2,6-dibromo-4-methylphenyl)-4-methylpentanamide
CID 28991563
(2S)-2-amino-N-[3-bromo-5-(trifluoromethyl)phenyl]-4-methylpentanamide
CID 65491406
(2S)-2-amino-4-methyl-N-(3-methylphenyl)pentanamide
CID 22691033
2-amino-4-methyl-N-(3,4,5-trimethoxyphenyl)pentanamide
CID 24710340
(2R)-2-amino-N-(3-hydroxy-4-methylphenyl)-4-methylpentanamide
CID 107701657
2-amino-4-methyl-N-naphthalen-2-ylpentanamide chloride
CID 5351894
2-amino-4-methyl-N-(4-propan-2-ylphenyl)pentanamide
CID 24696711
(2S)-2-amino-4-methyl-N-pyrimidin-5-ylpentanamide
CID 107588618
(2S)-2-amino-N-(3-aminophenyl)-4-methylpentanamide
CID 110482503

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3,5-dibromo-4-hydroxyphenyl)-4-methylpentanamide?
The IUPAC name of 2-amino-N-(3,5-dibromo-4-hydroxyphenyl)-4-methylpentanamide (CID 13419970) is 2-amino-N-(3,5-dibromo-4-hydroxyphenyl)-4-methylpentanamide.
What is the SMILES notation for 2-amino-N-(3,5-dibromo-4-hydroxyphenyl)-4-methylpentanamide?
The canonical SMILES for 2-amino-N-(3,5-dibromo-4-hydroxyphenyl)-4-methylpentanamide is CC(C)CC(N)C(=O)Nc1cc(Br)c(O)c(Br)c1.
What is the InChIKey of 2-amino-N-(3,5-dibromo-4-hydroxyphenyl)-4-methylpentanamide?
The InChIKey is UQWSQRFPXSZUPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Br2N2O2/c1-6(2)3-10(15)12(18)16-7-4-8(13)11(17)9(14)5-7/h4-6,10,17H,3,15H2,1-2H3,(H,16,18).
What are the key properties of 2-amino-N-(3,5-dibromo-4-hydroxyphenyl)-4-methylpentanamide?
2-amino-N-(3,5-dibromo-4-hydroxyphenyl)-4-methylpentanamide has a molecular weight of 380.08 g/mol, XLogP of 3.23, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3,5-dibromo-4-hydroxyphenyl)-4-methylpentanamide is sourced from PubChem (CID 13419970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).