2-(3-bromophenyl)-N-[[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methyl]acetamide

C21H21BrN2O — CID 113085824

IUPAC2-(3-bromophenyl)-N-[[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methyl]acetamide
SMILESCc1[nH]c2ccccc2c1C1(CNC(=O)Cc2cccc(Br)c2)CC1
InChIInChI=1S/C21H21BrN2O/c1-14-20(17-7-2-3-8-18(17)24-14)21(9-10-21)13-23-19(25)12-15-5-4-6-16(22)11-15/h2-8,11,24H,9-10,12-13H2,1H3,(H,23,25)
InChIKeyOEVPIONPDVYPKN-UHFFFAOYSA-N
MW397.32 g/mol
LogP4.63
Rot. Bonds5

About 2-(3-bromophenyl)-N-[[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methyl]acetamide

2-(3-bromophenyl)-N-[[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methyl]acetamide (PubChem CID 113085824) has the molecular formula C21H21BrN2O and a molecular weight of 397.32 g/mol. Its IUPAC name is 2-(3-bromophenyl)-N-[[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methyl]acetamide.

Molecular Properties

Compound Name2-(3-bromophenyl)-N-[[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methyl]acetamide
PubChem CID113085824
Molecular FormulaC21H21BrN2O
Molecular Weight397.32 g/mol
Exact Mass396.08
IUPAC Name2-(3-bromophenyl)-N-[[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methyl]acetamide
SMILESCc1[nH]c2ccccc2c1C1(CNC(=O)Cc2cccc(Br)c2)CC1
InChIInChI=1S/C21H21BrN2O/c1-14-20(17-7-2-3-8-18(17)24-14)21(9-10-21)13-23-19(25)12-15-5-4-6-16(22)11-15/h2-8,11,24H,9-10,12-13H2,1H3,(H,23,25)
InChIKeyOEVPIONPDVYPKN-UHFFFAOYSA-N
XLogP4.63
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.32
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-fluorophenyl)-N-[[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methyl]acetamide
CID 113085814
2-(4-methoxyphenyl)-N-[[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methyl]acetamide
CID 113085795
4-chloro-N-[[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methyl]benzamide
CID 113085802
N-[[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methyl]-2-(4-methylphenoxy)acetamide
CID 113085807
2-(3-bromophenyl)-N-[(3-methylphenyl)methyl]acetamide
CID 100699556
2-(3-bromophenyl)-N-[[1-(methylaminomethyl)cyclobutyl]methyl]acetamide
CID 115267561
2-(3-bromophenyl)-N-[2-(1H-indol-3-yl)-2-methylpropyl]acetamide
CID 113084108
N-[(1-aminocyclohexyl)methyl]-2-(3-bromophenyl)acetamide
CID 119404421
1-[[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 120544579
N-[[1-(1-methylindol-3-yl)cyclopropyl]methyl]-2-(3-methylphenyl)acetamide
CID 113084958
N-[(3-bromophenyl)methyl]-2-(2-hydroxyphenyl)acetamide
CID 78916794
N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-(2-methyl-1H-indol-3-yl)acetamide
CID 114751152

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-N-[[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methyl]acetamide?
The IUPAC name of 2-(3-bromophenyl)-N-[[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methyl]acetamide (CID 113085824) is 2-(3-bromophenyl)-N-[[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methyl]acetamide.
What is the SMILES notation for 2-(3-bromophenyl)-N-[[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methyl]acetamide?
The canonical SMILES for 2-(3-bromophenyl)-N-[[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methyl]acetamide is Cc1[nH]c2ccccc2c1C1(CNC(=O)Cc2cccc(Br)c2)CC1.
What is the InChIKey of 2-(3-bromophenyl)-N-[[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methyl]acetamide?
The InChIKey is OEVPIONPDVYPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21BrN2O/c1-14-20(17-7-2-3-8-18(17)24-14)21(9-10-21)13-23-19(25)12-15-5-4-6-16(22)11-15/h2-8,11,24H,9-10,12-13H2,1H3,(H,23,25).
What are the key properties of 2-(3-bromophenyl)-N-[[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methyl]acetamide?
2-(3-bromophenyl)-N-[[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methyl]acetamide has a molecular weight of 397.32 g/mol, XLogP of 4.63, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-N-[[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methyl]acetamide is sourced from PubChem (CID 113085824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).