N-butan-2-yl-2-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]benzamide

C20H22Br2N2O3 — CID 17151209

IUPACN-butan-2-yl-2-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]benzamide
SMILESCCC(C)NC(=O)c1ccccc1NC(=O)COc1c(C)cc(Br)cc1Br
InChIInChI=1S/C20H22Br2N2O3/c1-4-13(3)23-20(26)15-7-5-6-8-17(15)24-18(25)11-27-19-12(2)9-14(21)10-16(19)22/h5-10,13H,4,11H2,1-3H3,(H,23,26)(H,24,25)
InChIKeyJDRROSWCWGVJSH-UHFFFAOYSA-N
MW498.22 g/mol
LogP5.07
Rot. Bonds7

About N-butan-2-yl-2-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]benzamide

N-butan-2-yl-2-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]benzamide (PubChem CID 17151209) has the molecular formula C20H22Br2N2O3 and a molecular weight of 498.22 g/mol. Its IUPAC name is N-butan-2-yl-2-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]benzamide
PubChem CID17151209
Molecular FormulaC20H22Br2N2O3
Molecular Weight498.22 g/mol
Exact Mass496.00
IUPAC NameN-butan-2-yl-2-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]benzamide
SMILESCCC(C)NC(=O)c1ccccc1NC(=O)COc1c(C)cc(Br)cc1Br
InChIInChI=1S/C20H22Br2N2O3/c1-4-13(3)23-20(26)15-7-5-6-8-17(15)24-18(25)11-27-19-12(2)9-14(21)10-16(19)22/h5-10,13H,4,11H2,1-3H3,(H,23,26)(H,24,25)
InChIKeyJDRROSWCWGVJSH-UHFFFAOYSA-N
XLogP5.07
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.22
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromophenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide
CID 3249849
N-(4-anilinophenyl)-2-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]benzamide
CID 4942018
N-butan-2-yl-2-[[2-(2-methylphenoxy)acetyl]amino]benzamide
CID 17151196
N-[(2S)-butan-2-yl]-2-[[2-(3,5-dimethylphenoxy)acetyl]amino]benzamide
CID 26076171
N-butan-2-yl-2-[[2-(2,5-dimethylphenoxy)acetyl]amino]benzamide
CID 17151213
2-(2,4-dibromo-6-methylphenoxy)-N-(2-propan-2-yloxyphenyl)acetamide
CID 17150905
2-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]-N-ethyl-N-phenylbenzamide
CID 17186649
N-butan-2-yl-2-[[2-(4-methoxyphenoxy)acetyl]amino]benzamide
CID 2942479
N-[(2R)-butan-2-yl]-2-[[2-(3-methoxyphenoxy)acetyl]amino]benzamide
CID 94592415
2-(2,4-dibromo-6-methylphenoxy)-N-(2-phenylmethoxyphenyl)acetamide
CID 17093492
N-(4-bromo-2-methylphenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide
CID 3489380
2-(2,4-dibromo-6-methylphenoxy)-N-(2-piperidin-1-ylphenyl)acetamide
CID 4501880

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]benzamide?
The IUPAC name of N-butan-2-yl-2-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]benzamide (CID 17151209) is N-butan-2-yl-2-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]benzamide.
What is the SMILES notation for N-butan-2-yl-2-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]benzamide?
The canonical SMILES for N-butan-2-yl-2-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]benzamide is CCC(C)NC(=O)c1ccccc1NC(=O)COc1c(C)cc(Br)cc1Br.
What is the InChIKey of N-butan-2-yl-2-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]benzamide?
The InChIKey is JDRROSWCWGVJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Br2N2O3/c1-4-13(3)23-20(26)15-7-5-6-8-17(15)24-18(25)11-27-19-12(2)9-14(21)10-16(19)22/h5-10,13H,4,11H2,1-3H3,(H,23,26)(H,24,25).
What are the key properties of N-butan-2-yl-2-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]benzamide?
N-butan-2-yl-2-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]benzamide has a molecular weight of 498.22 g/mol, XLogP of 5.07, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]benzamide is sourced from PubChem (CID 17151209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).