2-bromo-N-[2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]benzamide

C19H19Br2N3O3 — CID 27761796

IUPAC2-bromo-N-[2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]benzamide
SMILESCc1cc(Br)ccc1NC(=O)CN(C)C(=O)CNC(=O)c1ccccc1Br
InChIInChI=1S/C19H19Br2N3O3/c1-12-9-13(20)7-8-16(12)23-17(25)11-24(2)18(26)10-22-19(27)14-5-3-4-6-15(14)21/h3-9H,10-11H2,1-2H3,(H,22,27)(H,23,25)
InChIKeyJMNCPTYVDOIJRB-UHFFFAOYSA-N
MW497.19 g/mol
LogP3.35
Rot. Bonds6

About 2-bromo-N-[2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]benzamide

2-bromo-N-[2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]benzamide (PubChem CID 27761796) has the molecular formula C19H19Br2N3O3 and a molecular weight of 497.19 g/mol. Its IUPAC name is 2-bromo-N-[2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]benzamide
PubChem CID27761796
Molecular FormulaC19H19Br2N3O3
Molecular Weight497.19 g/mol
Exact Mass494.98
IUPAC Name2-bromo-N-[2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]benzamide
SMILESCc1cc(Br)ccc1NC(=O)CN(C)C(=O)CNC(=O)c1ccccc1Br
InChIInChI=1S/C19H19Br2N3O3/c1-12-9-13(20)7-8-16(12)23-17(25)11-24(2)18(26)10-22-19(27)14-5-3-4-6-15(14)21/h3-9H,10-11H2,1-2H3,(H,22,27)(H,23,25)
InChIKeyJMNCPTYVDOIJRB-UHFFFAOYSA-N
XLogP3.35
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.19
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2-fluoro-N-methylbenzamide
CID 8698305
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N,2,3-trimethylbenzamide
CID 26904815
N-(4-bromo-2-methylphenyl)-2-[methyl-(2-methylsulfanylacetyl)amino]acetamide
CID 17407334
3-acetamido-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methylpropanamide
CID 16583098
5-bromo-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2-chloro-N-methylbenzamide
CID 26904812
2-benzamido-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]benzamide
CID 26549746
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 24543876
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-(2-chlorophenyl)-N-methylpropanamide
CID 36913449
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methyl-1-(2-methylpropyl)indole-3-carboxamide
CID 55914201
2-bromo-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-5-methoxybenzamide
CID 27781318
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2,5-dimethylbenzamide
CID 27781463
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-4-(2-ethoxyphenoxy)-N-methylbutanamide
CID 27761676

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]benzamide?
The IUPAC name of 2-bromo-N-[2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]benzamide (CID 27761796) is 2-bromo-N-[2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]benzamide.
What is the SMILES notation for 2-bromo-N-[2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]benzamide?
The canonical SMILES for 2-bromo-N-[2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]benzamide is Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)CNC(=O)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-[2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]benzamide?
The InChIKey is JMNCPTYVDOIJRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Br2N3O3/c1-12-9-13(20)7-8-16(12)23-17(25)11-24(2)18(26)10-22-19(27)14-5-3-4-6-15(14)21/h3-9H,10-11H2,1-2H3,(H,22,27)(H,23,25).
What are the key properties of 2-bromo-N-[2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]benzamide?
2-bromo-N-[2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]benzamide has a molecular weight of 497.19 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]benzamide is sourced from PubChem (CID 27761796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).