N-(2,4-dibromophenyl)-2-[3-hydroxybutyl(methyl)amino]acetamide

C13H18Br2N2O2 — CID 115666901

IUPACN-(2,4-dibromophenyl)-2-[3-hydroxybutyl(methyl)amino]acetamide
SMILESCC(O)CCN(C)CC(=O)Nc1ccc(Br)cc1Br
InChIInChI=1S/C13H18Br2N2O2/c1-9(18)5-6-17(2)8-13(19)16-12-4-3-10(14)7-11(12)15/h3-4,7,9,18H,5-6,8H2,1-2H3,(H,16,19)
InChIKeyFQOANKRPUFRPOO-UHFFFAOYSA-N
MW394.11 g/mol
LogP2.85
Rot. Bonds6

About N-(2,4-dibromophenyl)-2-[3-hydroxybutyl(methyl)amino]acetamide

N-(2,4-dibromophenyl)-2-[3-hydroxybutyl(methyl)amino]acetamide (PubChem CID 115666901) has the molecular formula C13H18Br2N2O2 and a molecular weight of 394.11 g/mol. Its IUPAC name is N-(2,4-dibromophenyl)-2-[3-hydroxybutyl(methyl)amino]acetamide.

Molecular Properties

Compound NameN-(2,4-dibromophenyl)-2-[3-hydroxybutyl(methyl)amino]acetamide
PubChem CID115666901
Molecular FormulaC13H18Br2N2O2
Molecular Weight394.11 g/mol
Exact Mass391.97
IUPAC NameN-(2,4-dibromophenyl)-2-[3-hydroxybutyl(methyl)amino]acetamide
SMILESCC(O)CCN(C)CC(=O)Nc1ccc(Br)cc1Br
InChIInChI=1S/C13H18Br2N2O2/c1-9(18)5-6-17(2)8-13(19)16-12-4-3-10(14)7-11(12)15/h3-4,7,9,18H,5-6,8H2,1-2H3,(H,16,19)
InChIKeyFQOANKRPUFRPOO-UHFFFAOYSA-N
XLogP2.85
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.11
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-aminoethyl(methyl)amino]-N-(2,4-dibromophenyl)acetamide
CID 62687733
N-(2,4-dibromophenyl)-2-[1-hydroxypropan-2-yl(methyl)amino]acetamide
CID 112548617
N-(4-bromo-2-fluorophenyl)-3-[3-hydroxybutyl(methyl)amino]propanamide
CID 111488616
N-(2-ethylphenyl)-2-[3-hydroxybutyl(methyl)amino]acetamide
CID 111488425
2-[3-hydroxybutyl(methyl)amino]-N-(2-propan-2-ylphenyl)acetamide
CID 115665846
1-(2,4-dibromophenyl)-3-[(2S)-2-hydroxypropyl]urea
CID 51944658
2-[3-hydroxybutyl(methyl)amino]-N-(4-methylphenyl)acetamide
CID 111496814
N-(2-cyanophenyl)-2-[3-hydroxybutyl(methyl)amino]acetamide
CID 115666891
2-[butyl(2-hydroxyethyl)amino]-N-(2,4-dibromophenyl)acetamide
CID 60689148
N-(3,5-difluorophenyl)-2-[3-hydroxybutyl(methyl)amino]acetamide
CID 115665697
methyl 3-[[2-(4-bromo-2-chloroanilino)-2-oxoethyl]-methylamino]propanoate
CID 62012088
2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]-N-(2-methylpropyl)acetamide
CID 9303536

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dibromophenyl)-2-[3-hydroxybutyl(methyl)amino]acetamide?
The IUPAC name of N-(2,4-dibromophenyl)-2-[3-hydroxybutyl(methyl)amino]acetamide (CID 115666901) is N-(2,4-dibromophenyl)-2-[3-hydroxybutyl(methyl)amino]acetamide.
What is the SMILES notation for N-(2,4-dibromophenyl)-2-[3-hydroxybutyl(methyl)amino]acetamide?
The canonical SMILES for N-(2,4-dibromophenyl)-2-[3-hydroxybutyl(methyl)amino]acetamide is CC(O)CCN(C)CC(=O)Nc1ccc(Br)cc1Br.
What is the InChIKey of N-(2,4-dibromophenyl)-2-[3-hydroxybutyl(methyl)amino]acetamide?
The InChIKey is FQOANKRPUFRPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Br2N2O2/c1-9(18)5-6-17(2)8-13(19)16-12-4-3-10(14)7-11(12)15/h3-4,7,9,18H,5-6,8H2,1-2H3,(H,16,19).
What are the key properties of N-(2,4-dibromophenyl)-2-[3-hydroxybutyl(methyl)amino]acetamide?
N-(2,4-dibromophenyl)-2-[3-hydroxybutyl(methyl)amino]acetamide has a molecular weight of 394.11 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dibromophenyl)-2-[3-hydroxybutyl(methyl)amino]acetamide is sourced from PubChem (CID 115666901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).