N-(2-amino-2-oxoethyl)-2,5-dibromo-N-butylbenzamide

C13H16Br2N2O2 — CID 114371555

IUPACN-(2-amino-2-oxoethyl)-2,5-dibromo-N-butylbenzamide
SMILESCCCCN(CC(N)=O)C(=O)c1cc(Br)ccc1Br
InChIInChI=1S/C13H16Br2N2O2/c1-2-3-6-17(8-12(16)18)13(19)10-7-9(14)4-5-11(10)15/h4-5,7H,2-3,6,8H2,1H3,(H2,16,18)
InChIKeyQSQFTUABMNJYDD-UHFFFAOYSA-N
MW392.09 g/mol
LogP2.94
Rot. Bonds6

About N-(2-amino-2-oxoethyl)-2,5-dibromo-N-butylbenzamide

N-(2-amino-2-oxoethyl)-2,5-dibromo-N-butylbenzamide (PubChem CID 114371555) has the molecular formula C13H16Br2N2O2 and a molecular weight of 392.09 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-2,5-dibromo-N-butylbenzamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-2,5-dibromo-N-butylbenzamide
PubChem CID114371555
Molecular FormulaC13H16Br2N2O2
Molecular Weight392.09 g/mol
Exact Mass389.96
IUPAC NameN-(2-amino-2-oxoethyl)-2,5-dibromo-N-butylbenzamide
SMILESCCCCN(CC(N)=O)C(=O)c1cc(Br)ccc1Br
InChIInChI=1S/C13H16Br2N2O2/c1-2-3-6-17(8-12(16)18)13(19)10-7-9(14)4-5-11(10)15/h4-5,7H,2-3,6,8H2,1H3,(H2,16,18)
InChIKeyQSQFTUABMNJYDD-UHFFFAOYSA-N
XLogP2.94
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.09
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-dibromo-N-butyl-N-(2,2,2-trifluoroethyl)benzamide
CID 114371542
N-(2-amino-2-oxoethyl)-3-bromo-N-butylbenzamide
CID 60766751
2,5-dibromo-N-(2-bromoethyl)-N-propylbenzamide
CID 114375647
N-(2-amino-2-oxoethyl)-N-butyl-2-hydroxybenzamide
CID 54942284
2,5-dibromo-N-butyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106612246
N-(2-amino-2-oxoethyl)-N-butyl-2,3-dihydroxybenzamide
CID 114344176
4-bromo-N,N-dibutyl-2-sulfanylbenzamide
CID 107022149
2-bromo-N,N-dibutylbenzamide
CID 2843235
2-[butyl-(2,4-dibromophenyl)sulfonylamino]acetamide
CID 47318380
N-(2-amino-2-oxoethyl)-2-bromo-N-ethyl-5-methoxybenzamide
CID 103102621
N-(2-amino-2-oxoethyl)-N-butyl-2-hydroxy-5-methoxybenzamide
CID 60779447
2,5-dibromo-N,N-bis(3-methylbutyl)benzamide
CID 114371455

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-2,5-dibromo-N-butylbenzamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-2,5-dibromo-N-butylbenzamide (CID 114371555) is N-(2-amino-2-oxoethyl)-2,5-dibromo-N-butylbenzamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-2,5-dibromo-N-butylbenzamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-2,5-dibromo-N-butylbenzamide is CCCCN(CC(N)=O)C(=O)c1cc(Br)ccc1Br.
What is the InChIKey of N-(2-amino-2-oxoethyl)-2,5-dibromo-N-butylbenzamide?
The InChIKey is QSQFTUABMNJYDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Br2N2O2/c1-2-3-6-17(8-12(16)18)13(19)10-7-9(14)4-5-11(10)15/h4-5,7H,2-3,6,8H2,1H3,(H2,16,18).
What are the key properties of N-(2-amino-2-oxoethyl)-2,5-dibromo-N-butylbenzamide?
N-(2-amino-2-oxoethyl)-2,5-dibromo-N-butylbenzamide has a molecular weight of 392.09 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-2,5-dibromo-N-butylbenzamide is sourced from PubChem (CID 114371555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).