3-[(3,5-dibromo-2-ethoxyphenyl)methylamino]-2-hydroxypropanamide

C12H16Br2N2O3 — CID 106171817

IUPAC3-[(3,5-dibromo-2-ethoxyphenyl)methylamino]-2-hydroxypropanamide
SMILESCCOc1c(Br)cc(Br)cc1CNCC(O)C(N)=O
InChIInChI=1S/C12H16Br2N2O3/c1-2-19-11-7(3-8(13)4-9(11)14)5-16-6-10(17)12(15)18/h3-4,10,16-17H,2,5-6H2,1H3,(H2,15,18)
InChIKeyMMZXOQYUHWZWPS-UHFFFAOYSA-N
MW396.08 g/mol
LogP1.55
Rot. Bonds7

About 3-[(3,5-dibromo-2-ethoxyphenyl)methylamino]-2-hydroxypropanamide

3-[(3,5-dibromo-2-ethoxyphenyl)methylamino]-2-hydroxypropanamide (PubChem CID 106171817) has the molecular formula C12H16Br2N2O3 and a molecular weight of 396.08 g/mol. Its IUPAC name is 3-[(3,5-dibromo-2-ethoxyphenyl)methylamino]-2-hydroxypropanamide.

Molecular Properties

Compound Name3-[(3,5-dibromo-2-ethoxyphenyl)methylamino]-2-hydroxypropanamide
PubChem CID106171817
Molecular FormulaC12H16Br2N2O3
Molecular Weight396.08 g/mol
Exact Mass393.95
IUPAC Name3-[(3,5-dibromo-2-ethoxyphenyl)methylamino]-2-hydroxypropanamide
SMILESCCOc1c(Br)cc(Br)cc1CNCC(O)C(N)=O
InChIInChI=1S/C12H16Br2N2O3/c1-2-19-11-7(3-8(13)4-9(11)14)5-16-6-10(17)12(15)18/h3-4,10,16-17H,2,5-6H2,1H3,(H2,15,18)
InChIKeyMMZXOQYUHWZWPS-UHFFFAOYSA-N
XLogP1.55
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.08
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-[(3,5-dibromo-2-ethoxyphenyl)methylamino]propan-2-ol
CID 51432536
N-[(3,5-dibromo-2-ethoxyphenyl)methyl]-2-methylbutan-1-amine
CID 63476481
2-[(3,5-dibromo-2-ethoxyphenyl)methylamino]propanoic acid
CID 54959237
1-(3,5-dibromo-2-ethoxyphenyl)-N-methylmethanamine
CID 4717481
3,5-dibromo-2-ethoxybenzamide
CID 50880217
1-cyclohexyl-N-[(3,5-dibromo-2-ethoxyphenyl)methyl]methanamine
CID 43220452
N-[(3,5-dibromo-2-ethoxyphenyl)methyl]-2-methylsulfanylethanamine
CID 60658348
3-[(3,5-dibromo-2-methoxyphenyl)methylamino]propane-1,2-diol
CID 66176532
3-[(5-bromo-2-fluorophenyl)methylamino]-2-hydroxypropanamide
CID 106170380
N-[(3,5-dibromo-2-ethoxyphenyl)methyl]-2,2-dimethylbutan-1-amine
CID 103460542
4-[[(3,5-dibromo-2-ethoxyphenyl)methylamino]methyl]cyclohexan-1-ol
CID 106127186
N-[(3,5-dibromo-2-ethoxyphenyl)methyl]-3,3,3-trifluoropropan-1-amine
CID 63226362

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dibromo-2-ethoxyphenyl)methylamino]-2-hydroxypropanamide?
The IUPAC name of 3-[(3,5-dibromo-2-ethoxyphenyl)methylamino]-2-hydroxypropanamide (CID 106171817) is 3-[(3,5-dibromo-2-ethoxyphenyl)methylamino]-2-hydroxypropanamide.
What is the SMILES notation for 3-[(3,5-dibromo-2-ethoxyphenyl)methylamino]-2-hydroxypropanamide?
The canonical SMILES for 3-[(3,5-dibromo-2-ethoxyphenyl)methylamino]-2-hydroxypropanamide is CCOc1c(Br)cc(Br)cc1CNCC(O)C(N)=O.
What is the InChIKey of 3-[(3,5-dibromo-2-ethoxyphenyl)methylamino]-2-hydroxypropanamide?
The InChIKey is MMZXOQYUHWZWPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Br2N2O3/c1-2-19-11-7(3-8(13)4-9(11)14)5-16-6-10(17)12(15)18/h3-4,10,16-17H,2,5-6H2,1H3,(H2,15,18).
What are the key properties of 3-[(3,5-dibromo-2-ethoxyphenyl)methylamino]-2-hydroxypropanamide?
3-[(3,5-dibromo-2-ethoxyphenyl)methylamino]-2-hydroxypropanamide has a molecular weight of 396.08 g/mol, XLogP of 1.55, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dibromo-2-ethoxyphenyl)methylamino]-2-hydroxypropanamide is sourced from PubChem (CID 106171817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).