2-[butyl-[(3,5-dibromo-4-hydroxyphenyl)methyl]amino]acetamide

C13H18Br2N2O2 — CID 107740264

IUPAC2-[butyl-[(3,5-dibromo-4-hydroxyphenyl)methyl]amino]acetamide
SMILESCCCCN(CC(N)=O)Cc1cc(Br)c(O)c(Br)c1
InChIInChI=1S/C13H18Br2N2O2/c1-2-3-4-17(8-12(16)18)7-9-5-10(14)13(19)11(15)6-9/h5-6,19H,2-4,7-8H2,1H3,(H2,16,18)
InChIKeyMFXWTCSUSUGTPI-UHFFFAOYSA-N
MW394.11 g/mol
LogP3.00
Rot. Bonds7

About 2-[butyl-[(3,5-dibromo-4-hydroxyphenyl)methyl]amino]acetamide

2-[butyl-[(3,5-dibromo-4-hydroxyphenyl)methyl]amino]acetamide (PubChem CID 107740264) has the molecular formula C13H18Br2N2O2 and a molecular weight of 394.11 g/mol. Its IUPAC name is 2-[butyl-[(3,5-dibromo-4-hydroxyphenyl)methyl]amino]acetamide.

Molecular Properties

Compound Name2-[butyl-[(3,5-dibromo-4-hydroxyphenyl)methyl]amino]acetamide
PubChem CID107740264
Molecular FormulaC13H18Br2N2O2
Molecular Weight394.11 g/mol
Exact Mass391.97
IUPAC Name2-[butyl-[(3,5-dibromo-4-hydroxyphenyl)methyl]amino]acetamide
SMILESCCCCN(CC(N)=O)Cc1cc(Br)c(O)c(Br)c1
InChIInChI=1S/C13H18Br2N2O2/c1-2-3-4-17(8-12(16)18)7-9-5-10(14)13(19)11(15)6-9/h5-6,19H,2-4,7-8H2,1H3,(H2,16,18)
InChIKeyMFXWTCSUSUGTPI-UHFFFAOYSA-N
XLogP3.00
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.11
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[butyl-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]amino]acetamide
CID 82959006
2-[(3-bromo-4-methoxyphenyl)methyl-butylamino]acetamide
CID 54942215
2-[(3-bromo-2,6-difluorophenyl)methyl-butylamino]acetamide
CID 106268829
2-bromo-4-[(dibutylamino)methyl]-6-ethoxyphenol
CID 82958008
2-[butyl-[(2-hydroxyphenyl)methyl]amino]acetamide
CID 82978056
2-[butyl-[[4-(2-hydrazinyl-2-oxoethyl)phenyl]methyl]amino]acetamide
CID 105351844
methyl 4-[[(2-amino-2-oxoethyl)-butylamino]methyl]-3-bromobenzoate
CID 102767418
2-[(3-aminophenyl)methyl-octylamino]acetamide
CID 43461268
2-[(4-amino-3-nitrophenyl)methyl-butylamino]acetamide
CID 62184585
1-(3,5-dibromo-4-hydroxyphenyl)hexan-1-one
CID 21284639
2-[[2-(aminomethyl)phenyl]methyl-butylamino]acetamide
CID 55002605
4-[[butyl(ethyl)amino]methyl]-2,6-difluorophenol
CID 82975285

Frequently Asked Questions

What is the IUPAC name of 2-[butyl-[(3,5-dibromo-4-hydroxyphenyl)methyl]amino]acetamide?
The IUPAC name of 2-[butyl-[(3,5-dibromo-4-hydroxyphenyl)methyl]amino]acetamide (CID 107740264) is 2-[butyl-[(3,5-dibromo-4-hydroxyphenyl)methyl]amino]acetamide.
What is the SMILES notation for 2-[butyl-[(3,5-dibromo-4-hydroxyphenyl)methyl]amino]acetamide?
The canonical SMILES for 2-[butyl-[(3,5-dibromo-4-hydroxyphenyl)methyl]amino]acetamide is CCCCN(CC(N)=O)Cc1cc(Br)c(O)c(Br)c1.
What is the InChIKey of 2-[butyl-[(3,5-dibromo-4-hydroxyphenyl)methyl]amino]acetamide?
The InChIKey is MFXWTCSUSUGTPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Br2N2O2/c1-2-3-4-17(8-12(16)18)7-9-5-10(14)13(19)11(15)6-9/h5-6,19H,2-4,7-8H2,1H3,(H2,16,18).
What are the key properties of 2-[butyl-[(3,5-dibromo-4-hydroxyphenyl)methyl]amino]acetamide?
2-[butyl-[(3,5-dibromo-4-hydroxyphenyl)methyl]amino]acetamide has a molecular weight of 394.11 g/mol, XLogP of 3.00, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl-[(3,5-dibromo-4-hydroxyphenyl)methyl]amino]acetamide is sourced from PubChem (CID 107740264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).