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

C23H19BrN2O — CID 142736218

IUPACN-benzyl-2-[2-(2-bromophenyl)-1H-indol-3-yl]acetamide
SMILESO=C(Cc1c(-c2ccccc2Br)[nH]c2ccccc12)NCc1ccccc1
InChIInChI=1S/C23H19BrN2O/c24-20-12-6-4-11-18(20)23-19(17-10-5-7-13-21(17)26-23)14-22(27)25-15-16-8-2-1-3-9-16/h1-13,26H,14-15H2,(H,25,27)
InChIKeyKCJSSYSABGWRAA-UHFFFAOYSA-N
MW419.32 g/mol
LogP5.46
Rot. Bonds5

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

N-benzyl-2-[2-(2-bromophenyl)-1H-indol-3-yl]acetamide (PubChem CID 142736218) has the molecular formula C23H19BrN2O and a molecular weight of 419.32 g/mol. Its IUPAC name is N-benzyl-2-[2-(2-bromophenyl)-1H-indol-3-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[2-(2-bromophenyl)-1H-indol-3-yl]acetamide
PubChem CID142736218
Molecular FormulaC23H19BrN2O
Molecular Weight419.32 g/mol
Exact Mass418.07
IUPAC NameN-benzyl-2-[2-(2-bromophenyl)-1H-indol-3-yl]acetamide
SMILESO=C(Cc1c(-c2ccccc2Br)[nH]c2ccccc12)NCc1ccccc1
InChIInChI=1S/C23H19BrN2O/c24-20-12-6-4-11-18(20)23-19(17-10-5-7-13-21(17)26-23)14-22(27)25-15-16-8-2-1-3-9-16/h1-13,26H,14-15H2,(H,25,27)
InChIKeyKCJSSYSABGWRAA-UHFFFAOYSA-N
XLogP5.46
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.32
LogP ≤ 55.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-benzyl-2-(2-phenylsulfanyl-1H-indol-3-yl)acetamide
CID 46328992
N-[2-(benzylamino)-2-oxoethyl]-3-bromo-1H-indole-2-carboxamide
CID 55818483
2-(2-methyl-1H-indol-3-yl)-N-(2-phenylethyl)acetamide
CID 31852687
2-(3-benzyl-1H-indol-2-yl)phenol
CID 142650095
N-(2-bromophenyl)-2-[2-(4-fluorophenyl)-1H-indol-3-yl]acetamide
CID 10070927
3-[2-(2-hydroxyethylamino)-2-oxoethyl]-1H-indole-2-carboxylic acid
CID 167891211
2-(3-benzyl-1H-indol-2-yl)-4,6-dibromophenol
CID 142650100
methyl 2-[2-(benzylamino)-1H-indol-3-yl]acetate
CID 57046316
2-(2-bromophenyl)-N-(2-phenylethyl)acetamide
CID 86025438
2-[2-[2-(carboxymethoxy)phenyl]-1H-indol-3-yl]acetic acid
CID 70540384
2-(2,5-dimethyl-1H-indol-3-yl)-N-[[4-(phenylmethoxymethyl)phenyl]methyl]acetamide
CID 46464817
N-[(3-fluorophenyl)methyl]-2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)acetamide
CID 54693788

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[2-(2-bromophenyl)-1H-indol-3-yl]acetamide?
The IUPAC name of N-benzyl-2-[2-(2-bromophenyl)-1H-indol-3-yl]acetamide (CID 142736218) is N-benzyl-2-[2-(2-bromophenyl)-1H-indol-3-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[2-(2-bromophenyl)-1H-indol-3-yl]acetamide?
The canonical SMILES for N-benzyl-2-[2-(2-bromophenyl)-1H-indol-3-yl]acetamide is O=C(Cc1c(-c2ccccc2Br)[nH]c2ccccc12)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[2-(2-bromophenyl)-1H-indol-3-yl]acetamide?
The InChIKey is KCJSSYSABGWRAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19BrN2O/c24-20-12-6-4-11-18(20)23-19(17-10-5-7-13-21(17)26-23)14-22(27)25-15-16-8-2-1-3-9-16/h1-13,26H,14-15H2,(H,25,27).
What are the key properties of N-benzyl-2-[2-(2-bromophenyl)-1H-indol-3-yl]acetamide?
N-benzyl-2-[2-(2-bromophenyl)-1H-indol-3-yl]acetamide has a molecular weight of 419.32 g/mol, XLogP of 5.46, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[2-(2-bromophenyl)-1H-indol-3-yl]acetamide is sourced from PubChem (CID 142736218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).