N-(2-bromophenyl)-2-[2-(4-fluorophenyl)-1H-indol-3-yl]acetamide

C22H16BrFN2O — CID 10070927

IUPACN-(2-bromophenyl)-2-[2-(4-fluorophenyl)-1H-indol-3-yl]acetamide
SMILESO=C(Cc1c(-c2ccc(F)cc2)[nH]c2ccccc12)Nc1ccccc1Br
InChIInChI=1S/C22H16BrFN2O/c23-18-6-2-4-8-20(18)25-21(27)13-17-16-5-1-3-7-19(16)26-22(17)14-9-11-15(24)12-10-14/h1-12,26H,13H2,(H,25,27)
InChIKeyMGTXNVCKRLVJSO-UHFFFAOYSA-N
MW423.29 g/mol
LogP5.92
Rot. Bonds4

About N-(2-bromophenyl)-2-[2-(4-fluorophenyl)-1H-indol-3-yl]acetamide

N-(2-bromophenyl)-2-[2-(4-fluorophenyl)-1H-indol-3-yl]acetamide (PubChem CID 10070927) has the molecular formula C22H16BrFN2O and a molecular weight of 423.29 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-[2-(4-fluorophenyl)-1H-indol-3-yl]acetamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-[2-(4-fluorophenyl)-1H-indol-3-yl]acetamide
PubChem CID10070927
Molecular FormulaC22H16BrFN2O
Molecular Weight423.29 g/mol
Exact Mass422.04
IUPAC NameN-(2-bromophenyl)-2-[2-(4-fluorophenyl)-1H-indol-3-yl]acetamide
SMILESO=C(Cc1c(-c2ccc(F)cc2)[nH]c2ccccc12)Nc1ccccc1Br
InChIInChI=1S/C22H16BrFN2O/c23-18-6-2-4-8-20(18)25-21(27)13-17-16-5-1-3-7-19(16)26-22(17)14-9-11-15(24)12-10-14/h1-12,26H,13H2,(H,25,27)
InChIKeyMGTXNVCKRLVJSO-UHFFFAOYSA-N
XLogP5.92
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.29
LogP ≤ 55.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-[2-(4-fluorophenyl)-1H-indol-3-yl]acetamide?
The IUPAC name of N-(2-bromophenyl)-2-[2-(4-fluorophenyl)-1H-indol-3-yl]acetamide (CID 10070927) is N-(2-bromophenyl)-2-[2-(4-fluorophenyl)-1H-indol-3-yl]acetamide.
What is the SMILES notation for N-(2-bromophenyl)-2-[2-(4-fluorophenyl)-1H-indol-3-yl]acetamide?
The canonical SMILES for N-(2-bromophenyl)-2-[2-(4-fluorophenyl)-1H-indol-3-yl]acetamide is O=C(Cc1c(-c2ccc(F)cc2)[nH]c2ccccc12)Nc1ccccc1Br.
What is the InChIKey of N-(2-bromophenyl)-2-[2-(4-fluorophenyl)-1H-indol-3-yl]acetamide?
The InChIKey is MGTXNVCKRLVJSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16BrFN2O/c23-18-6-2-4-8-20(18)25-21(27)13-17-16-5-1-3-7-19(16)26-22(17)14-9-11-15(24)12-10-14/h1-12,26H,13H2,(H,25,27).
What are the key properties of N-(2-bromophenyl)-2-[2-(4-fluorophenyl)-1H-indol-3-yl]acetamide?
N-(2-bromophenyl)-2-[2-(4-fluorophenyl)-1H-indol-3-yl]acetamide has a molecular weight of 423.29 g/mol, XLogP of 5.92, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-[2-(4-fluorophenyl)-1H-indol-3-yl]acetamide is sourced from PubChem (CID 10070927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).