N-(2,4-dibromophenyl)-2-[1-hydroxypropan-2-yl(methyl)amino]acetamide

C12H16Br2N2O2 — CID 112548617

IUPACN-(2,4-dibromophenyl)-2-[1-hydroxypropan-2-yl(methyl)amino]acetamide
SMILESCC(CO)N(C)CC(=O)Nc1ccc(Br)cc1Br
InChIInChI=1S/C12H16Br2N2O2/c1-8(7-17)16(2)6-12(18)15-11-4-3-9(13)5-10(11)14/h3-5,8,17H,6-7H2,1-2H3,(H,15,18)
InChIKeyJFPRCWXCEXAHPW-UHFFFAOYSA-N
MW380.08 g/mol
LogP2.46
Rot. Bonds5

About N-(2,4-dibromophenyl)-2-[1-hydroxypropan-2-yl(methyl)amino]acetamide

N-(2,4-dibromophenyl)-2-[1-hydroxypropan-2-yl(methyl)amino]acetamide (PubChem CID 112548617) has the molecular formula C12H16Br2N2O2 and a molecular weight of 380.08 g/mol. Its IUPAC name is N-(2,4-dibromophenyl)-2-[1-hydroxypropan-2-yl(methyl)amino]acetamide.

Molecular Properties

Compound NameN-(2,4-dibromophenyl)-2-[1-hydroxypropan-2-yl(methyl)amino]acetamide
PubChem CID112548617
Molecular FormulaC12H16Br2N2O2
Molecular Weight380.08 g/mol
Exact Mass377.96
IUPAC NameN-(2,4-dibromophenyl)-2-[1-hydroxypropan-2-yl(methyl)amino]acetamide
SMILESCC(CO)N(C)CC(=O)Nc1ccc(Br)cc1Br
InChIInChI=1S/C12H16Br2N2O2/c1-8(7-17)16(2)6-12(18)15-11-4-3-9(13)5-10(11)14/h3-5,8,17H,6-7H2,1-2H3,(H,15,18)
InChIKeyJFPRCWXCEXAHPW-UHFFFAOYSA-N
XLogP2.46
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.08
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-dibromophenyl)-2-[3-hydroxybutyl(methyl)amino]acetamide
CID 115666901
2-[2-aminoethyl(methyl)amino]-N-(2,4-dibromophenyl)acetamide
CID 62687733
N-(2,4-dibromophenyl)-2-(1-hydroxypropan-2-ylsulfanyl)acetamide
CID 112695482
2-[butyl(2-hydroxyethyl)amino]-N-(2,4-dibromophenyl)acetamide
CID 60689148
N-(4-bromo-2-methylphenyl)-2-[[(1S)-1-cyanoethyl]-methylamino]acetamide
CID 9303278
N-(2,4-dibromophenyl)hexanamide
CID 4251482
3-(2,4-dibromoanilino)-3-oxopropanoic acid
CID 62230789
2-[1-hydroxypropan-2-yl(methyl)amino]-N-(4-propan-2-ylphenyl)acetamide
CID 115772236
N-(2,4-dibromophenyl)-2-[methyl(pyrrolidin-3-yl)amino]acetamide
CID 63301508
N-(2-bromophenyl)-2-[methyl-[(2S)-1-[(S)-methylsulfinyl]propan-2-yl]amino]acetamide
CID 97352788
N-(2,6-dichlorophenyl)-2-[1-hydroxypropan-2-yl(methyl)amino]acetamide
CID 112706093
1-(2,4-dibromophenyl)-3-ethylurea
CID 102364568

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dibromophenyl)-2-[1-hydroxypropan-2-yl(methyl)amino]acetamide?
The IUPAC name of N-(2,4-dibromophenyl)-2-[1-hydroxypropan-2-yl(methyl)amino]acetamide (CID 112548617) is N-(2,4-dibromophenyl)-2-[1-hydroxypropan-2-yl(methyl)amino]acetamide.
What is the SMILES notation for N-(2,4-dibromophenyl)-2-[1-hydroxypropan-2-yl(methyl)amino]acetamide?
The canonical SMILES for N-(2,4-dibromophenyl)-2-[1-hydroxypropan-2-yl(methyl)amino]acetamide is CC(CO)N(C)CC(=O)Nc1ccc(Br)cc1Br.
What is the InChIKey of N-(2,4-dibromophenyl)-2-[1-hydroxypropan-2-yl(methyl)amino]acetamide?
The InChIKey is JFPRCWXCEXAHPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Br2N2O2/c1-8(7-17)16(2)6-12(18)15-11-4-3-9(13)5-10(11)14/h3-5,8,17H,6-7H2,1-2H3,(H,15,18).
What are the key properties of N-(2,4-dibromophenyl)-2-[1-hydroxypropan-2-yl(methyl)amino]acetamide?
N-(2,4-dibromophenyl)-2-[1-hydroxypropan-2-yl(methyl)amino]acetamide has a molecular weight of 380.08 g/mol, XLogP of 2.46, 5 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-[1-hydroxypropan-2-yl(methyl)amino]acetamide is sourced from PubChem (CID 112548617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).