N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methyl-1-(2-methylpropyl)indole-3-carboxamide

C23H26BrN3O2 — CID 55914201

IUPACN-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methyl-1-(2-methylpropyl)indole-3-carboxamide
SMILESCc1cc(Br)ccc1NC(=O)CN(C)C(=O)c1cn(CC(C)C)c2ccccc12
InChIInChI=1S/C23H26BrN3O2/c1-15(2)12-27-13-19(18-7-5-6-8-21(18)27)23(29)26(4)14-22(28)25-20-10-9-17(24)11-16(20)3/h5-11,13,15H,12,14H2,1-4H3,(H,25,28)
InChIKeyYFARXJFRPVOMNW-UHFFFAOYSA-N
MW456.38 g/mol
LogP5.08
Rot. Bonds6

About N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methyl-1-(2-methylpropyl)indole-3-carboxamide

N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methyl-1-(2-methylpropyl)indole-3-carboxamide (PubChem CID 55914201) has the molecular formula C23H26BrN3O2 and a molecular weight of 456.38 g/mol. Its IUPAC name is N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methyl-1-(2-methylpropyl)indole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methyl-1-(2-methylpropyl)indole-3-carboxamide
PubChem CID55914201
Molecular FormulaC23H26BrN3O2
Molecular Weight456.38 g/mol
Exact Mass455.12
IUPAC NameN-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methyl-1-(2-methylpropyl)indole-3-carboxamide
SMILESCc1cc(Br)ccc1NC(=O)CN(C)C(=O)c1cn(CC(C)C)c2ccccc12
InChIInChI=1S/C23H26BrN3O2/c1-15(2)12-27-13-19(18-7-5-6-8-21(18)27)23(29)26(4)14-22(28)25-20-10-9-17(24)11-16(20)3/h5-11,13,15H,12,14H2,1-4H3,(H,25,28)
InChIKeyYFARXJFRPVOMNW-UHFFFAOYSA-N
XLogP5.08
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.38
LogP ≤ 55.08
H-Bond Donors ≤ 51
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
5-bromo-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2-chloro-N-methylbenzamide
CID 26904812
1-(4-bromo-2-methylphenyl)-3-[2-(2-methylpropyl)-1-oxoisoquinolin-4-yl]urea
CID 20924392
2-bromo-N-[2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]benzamide
CID 27761796
N-benzyl-2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]propanamide
CID 42911650
2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]-N-naphthalen-1-ylpropanamide
CID 17425599
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 24543876
N-(4-bromo-2-methylphenyl)-2-[methyl-(2-methylsulfanylacetyl)amino]acetamide
CID 17407334
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N,5-dimethyl-1-phenylpyrazole-3-carboxamide
CID 55757786
2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]-N-(2-methylpropyl)acetamide
CID 9303536
N-(benzylcarbamoyl)-2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]propanamide
CID 46646847

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methyl-1-(2-methylpropyl)indole-3-carboxamide?
The IUPAC name of N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methyl-1-(2-methylpropyl)indole-3-carboxamide (CID 55914201) is N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methyl-1-(2-methylpropyl)indole-3-carboxamide.
What is the SMILES notation for N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methyl-1-(2-methylpropyl)indole-3-carboxamide?
The canonical SMILES for N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methyl-1-(2-methylpropyl)indole-3-carboxamide is Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)c1cn(CC(C)C)c2ccccc12.
What is the InChIKey of N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methyl-1-(2-methylpropyl)indole-3-carboxamide?
The InChIKey is YFARXJFRPVOMNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26BrN3O2/c1-15(2)12-27-13-19(18-7-5-6-8-21(18)27)23(29)26(4)14-22(28)25-20-10-9-17(24)11-16(20)3/h5-11,13,15H,12,14H2,1-4H3,(H,25,28).
What are the key properties of N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methyl-1-(2-methylpropyl)indole-3-carboxamide?
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methyl-1-(2-methylpropyl)indole-3-carboxamide has a molecular weight of 456.38 g/mol, XLogP of 5.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methyl-1-(2-methylpropyl)indole-3-carboxamide is sourced from PubChem (CID 55914201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).