N-benzyl-2-[2-(5-bromo-3-methyl-1,2-dihydroindol-3-yl)ethyl-methylamino]-2-(2-bromophenyl)acetamide

C27H29Br2N3O — CID 24955107

IUPACN-benzyl-2-[2-(5-bromo-3-methyl-1,2-dihydroindol-3-yl)ethyl-methylamino]-2-(2-bromophenyl)acetamide
SMILESCN(CCC1(C)CNc2ccc(Br)cc21)C(C(=O)NCc1ccccc1)c1ccccc1Br
InChIInChI=1S/C27H29Br2N3O/c1-27(18-31-24-13-12-20(28)16-22(24)27)14-15-32(2)25(21-10-6-7-11-23(21)29)26(33)30-17-19-8-4-3-5-9-19/h3-13,16,25,31H,14-15,17-18H2,1-2H3,(H,30,33)
InChIKeyGFXDDDZTDPHGEV-UHFFFAOYSA-N
MW571.36 g/mol
LogP6.27
Rot. Bonds8

About N-benzyl-2-[2-(5-bromo-3-methyl-1,2-dihydroindol-3-yl)ethyl-methylamino]-2-(2-bromophenyl)acetamide

N-benzyl-2-[2-(5-bromo-3-methyl-1,2-dihydroindol-3-yl)ethyl-methylamino]-2-(2-bromophenyl)acetamide (PubChem CID 24955107) has the molecular formula C27H29Br2N3O and a molecular weight of 571.36 g/mol. Its IUPAC name is N-benzyl-2-[2-(5-bromo-3-methyl-1,2-dihydroindol-3-yl)ethyl-methylamino]-2-(2-bromophenyl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-[2-(5-bromo-3-methyl-1,2-dihydroindol-3-yl)ethyl-methylamino]-2-(2-bromophenyl)acetamide
PubChem CID24955107
Molecular FormulaC27H29Br2N3O
Molecular Weight571.36 g/mol
Exact Mass569.07
IUPAC NameN-benzyl-2-[2-(5-bromo-3-methyl-1,2-dihydroindol-3-yl)ethyl-methylamino]-2-(2-bromophenyl)acetamide
SMILESCN(CCC1(C)CNc2ccc(Br)cc21)C(C(=O)NCc1ccccc1)c1ccccc1Br
InChIInChI=1S/C27H29Br2N3O/c1-27(18-31-24-13-12-20(28)16-22(24)27)14-15-32(2)25(21-10-6-7-11-23(21)29)26(33)30-17-19-8-4-3-5-9-19/h3-13,16,25,31H,14-15,17-18H2,1-2H3,(H,30,33)
InChIKeyGFXDDDZTDPHGEV-UHFFFAOYSA-N
XLogP6.27
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.36
LogP ≤ 56.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[2-(5-bromo-3-methyl-1,2-dihydroindol-3-yl)ethyl-methylamino]-2-(2-bromophenyl)acetamide?
The IUPAC name of N-benzyl-2-[2-(5-bromo-3-methyl-1,2-dihydroindol-3-yl)ethyl-methylamino]-2-(2-bromophenyl)acetamide (CID 24955107) is N-benzyl-2-[2-(5-bromo-3-methyl-1,2-dihydroindol-3-yl)ethyl-methylamino]-2-(2-bromophenyl)acetamide.
What is the SMILES notation for N-benzyl-2-[2-(5-bromo-3-methyl-1,2-dihydroindol-3-yl)ethyl-methylamino]-2-(2-bromophenyl)acetamide?
The canonical SMILES for N-benzyl-2-[2-(5-bromo-3-methyl-1,2-dihydroindol-3-yl)ethyl-methylamino]-2-(2-bromophenyl)acetamide is CN(CCC1(C)CNc2ccc(Br)cc21)C(C(=O)NCc1ccccc1)c1ccccc1Br.
What is the InChIKey of N-benzyl-2-[2-(5-bromo-3-methyl-1,2-dihydroindol-3-yl)ethyl-methylamino]-2-(2-bromophenyl)acetamide?
The InChIKey is GFXDDDZTDPHGEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29Br2N3O/c1-27(18-31-24-13-12-20(28)16-22(24)27)14-15-32(2)25(21-10-6-7-11-23(21)29)26(33)30-17-19-8-4-3-5-9-19/h3-13,16,25,31H,14-15,17-18H2,1-2H3,(H,30,33).
What are the key properties of N-benzyl-2-[2-(5-bromo-3-methyl-1,2-dihydroindol-3-yl)ethyl-methylamino]-2-(2-bromophenyl)acetamide?
N-benzyl-2-[2-(5-bromo-3-methyl-1,2-dihydroindol-3-yl)ethyl-methylamino]-2-(2-bromophenyl)acetamide has a molecular weight of 571.36 g/mol, XLogP of 6.27, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[2-(5-bromo-3-methyl-1,2-dihydroindol-3-yl)ethyl-methylamino]-2-(2-bromophenyl)acetamide is sourced from PubChem (CID 24955107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).