3,5-dibromo-N-[2-(tert-butylamino)-2-oxoethyl]benzamide

C13H16Br2N2O2 — CID 103907463

IUPAC3,5-dibromo-N-[2-(tert-butylamino)-2-oxoethyl]benzamide
SMILESCC(C)(C)NC(=O)CNC(=O)c1cc(Br)cc(Br)c1
InChIInChI=1S/C13H16Br2N2O2/c1-13(2,3)17-11(18)7-16-12(19)8-4-9(14)6-10(15)5-8/h4-6H,7H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyWXWQFNZBSNSTHB-UHFFFAOYSA-N
MW392.09 g/mol
LogP2.86
Rot. Bonds3

About 3,5-dibromo-N-[2-(tert-butylamino)-2-oxoethyl]benzamide

3,5-dibromo-N-[2-(tert-butylamino)-2-oxoethyl]benzamide (PubChem CID 103907463) has the molecular formula C13H16Br2N2O2 and a molecular weight of 392.09 g/mol. Its IUPAC name is 3,5-dibromo-N-[2-(tert-butylamino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3,5-dibromo-N-[2-(tert-butylamino)-2-oxoethyl]benzamide
PubChem CID103907463
Molecular FormulaC13H16Br2N2O2
Molecular Weight392.09 g/mol
Exact Mass389.96
IUPAC Name3,5-dibromo-N-[2-(tert-butylamino)-2-oxoethyl]benzamide
SMILESCC(C)(C)NC(=O)CNC(=O)c1cc(Br)cc(Br)c1
InChIInChI=1S/C13H16Br2N2O2/c1-13(2,3)17-11(18)7-16-12(19)8-4-9(14)6-10(15)5-8/h4-6H,7H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyWXWQFNZBSNSTHB-UHFFFAOYSA-N
XLogP2.86
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.09
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-[2-(tert-butylamino)-2-oxoethyl]-5-methylbenzamide
CID 113460816
3,5-dibromo-N-[2-(ethylamino)-2-oxoethyl]benzamide
CID 103907474
N-[2-[[2-(tert-butylamino)-2-oxoethyl]amino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 26456891
2-bromo-N-[2-(tert-butylamino)-2-oxoethyl]pyridine-4-carboxamide
CID 103752009
4-amino-N-[2-(tert-butylamino)-2-oxoethyl]benzamide
CID 24710255
3,5-dibromo-N-(2-hydroxy-2-methylbutyl)benzamide
CID 103908910
3,5-dibromo-N-(3-hydroxy-2,2-dimethylpropyl)benzamide
CID 113349822
2-amino-5-bromo-N-[2-(tert-butylamino)-2-oxoethyl]pyridine-3-carboxamide
CID 115357192
N-[2-(tert-butylamino)-2-oxoethyl]-3-chloro-4-ethoxy-5-methoxybenzamide
CID 26457001
N-[2-[[2-(tert-butylamino)-2-oxoethyl]amino]-2-oxoethyl]-3-chlorobenzamide
CID 24637788
2-[[2-[(3-bromobenzoyl)amino]acetyl]amino]-2-methylpentanoic acid
CID 120516977
2-(2-bromo-4,5-diethoxyphenyl)-N-[2-(tert-butylamino)-2-oxoethyl]acetamide
CID 41276979

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-N-[2-(tert-butylamino)-2-oxoethyl]benzamide?
The IUPAC name of 3,5-dibromo-N-[2-(tert-butylamino)-2-oxoethyl]benzamide (CID 103907463) is 3,5-dibromo-N-[2-(tert-butylamino)-2-oxoethyl]benzamide.
What is the SMILES notation for 3,5-dibromo-N-[2-(tert-butylamino)-2-oxoethyl]benzamide?
The canonical SMILES for 3,5-dibromo-N-[2-(tert-butylamino)-2-oxoethyl]benzamide is CC(C)(C)NC(=O)CNC(=O)c1cc(Br)cc(Br)c1.
What is the InChIKey of 3,5-dibromo-N-[2-(tert-butylamino)-2-oxoethyl]benzamide?
The InChIKey is WXWQFNZBSNSTHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Br2N2O2/c1-13(2,3)17-11(18)7-16-12(19)8-4-9(14)6-10(15)5-8/h4-6H,7H2,1-3H3,(H,16,19)(H,17,18).
What are the key properties of 3,5-dibromo-N-[2-(tert-butylamino)-2-oxoethyl]benzamide?
3,5-dibromo-N-[2-(tert-butylamino)-2-oxoethyl]benzamide has a molecular weight of 392.09 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-N-[2-(tert-butylamino)-2-oxoethyl]benzamide is sourced from PubChem (CID 103907463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).