N-(4-bromophenyl)-2-[1-[(4-fluorophenyl)methyl]indol-3-yl]-2-oxoacetamide

C23H16BrFN2O2 — CID 46227998

IUPACN-(4-bromophenyl)-2-[1-[(4-fluorophenyl)methyl]indol-3-yl]-2-oxoacetamide
SMILESO=C(Nc1ccc(Br)cc1)C(=O)c1cn(Cc2ccc(F)cc2)c2ccccc12
InChIInChI=1S/C23H16BrFN2O2/c24-16-7-11-18(12-8-16)26-23(29)22(28)20-14-27(21-4-2-1-3-19(20)21)13-15-5-9-17(25)10-6-15/h1-12,14H,13H2,(H,26,29)
InChIKeyWAOYFGDPCHQLRH-UHFFFAOYSA-N
MW451.30 g/mol
LogP5.41
Rot. Bonds5

About N-(4-bromophenyl)-2-[1-[(4-fluorophenyl)methyl]indol-3-yl]-2-oxoacetamide

N-(4-bromophenyl)-2-[1-[(4-fluorophenyl)methyl]indol-3-yl]-2-oxoacetamide (PubChem CID 46227998) has the molecular formula C23H16BrFN2O2 and a molecular weight of 451.30 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-[1-[(4-fluorophenyl)methyl]indol-3-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-[1-[(4-fluorophenyl)methyl]indol-3-yl]-2-oxoacetamide
PubChem CID46227998
Molecular FormulaC23H16BrFN2O2
Molecular Weight451.30 g/mol
Exact Mass450.04
IUPAC NameN-(4-bromophenyl)-2-[1-[(4-fluorophenyl)methyl]indol-3-yl]-2-oxoacetamide
SMILESO=C(Nc1ccc(Br)cc1)C(=O)c1cn(Cc2ccc(F)cc2)c2ccccc12
InChIInChI=1S/C23H16BrFN2O2/c24-16-7-11-18(12-8-16)26-23(29)22(28)20-14-27(21-4-2-1-3-19(20)21)13-15-5-9-17(25)10-6-15/h1-12,14H,13H2,(H,26,29)
InChIKeyWAOYFGDPCHQLRH-UHFFFAOYSA-N
XLogP5.41
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.30
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

4-[[2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-2-oxoacetyl]amino]benzamide
CID 10181188
2-(1-benzylindol-3-yl)-N-(4-methoxyphenyl)-2-oxoacetamide
CID 155797600
2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-(4-methoxyphenyl)-2-oxoacetamide
CID 5147141
1-[(4-bromophenyl)methyl]indole-3-carboxamide
CID 91690104
2-[1-[2-(azepan-1-yl)-2-oxoethyl]indol-3-yl]-N-(4-fluorophenyl)-2-oxoacetamide
CID 40506681
1-(chloromethyl)-4-fluorobenzene;1-[(4-fluorophenyl)methyl]indole;2-[1-[(4-fluorophenyl)methyl]indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide;4-methylpyridine
CID 91077289
methyl 1-[(4-bromophenyl)methyl]indole-3-carboxylate
CID 973154
N-(4-fluorophenyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide
CID 4085759
1-[1-[(4-fluorophenyl)methyl]indol-3-yl]propan-1-one
CID 955251
[1-[(4-fluorophenyl)methyl]indol-3-yl]-phenylmethanone
CID 963177
N-(4-fluorophenyl)-2-[2-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]hydrazinyl]-2-sulfanylideneacetamide
CID 142763633
N-(2-chlorophenyl)-2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-2-oxoacetamide
CID 5303659

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-[1-[(4-fluorophenyl)methyl]indol-3-yl]-2-oxoacetamide?
The IUPAC name of N-(4-bromophenyl)-2-[1-[(4-fluorophenyl)methyl]indol-3-yl]-2-oxoacetamide (CID 46227998) is N-(4-bromophenyl)-2-[1-[(4-fluorophenyl)methyl]indol-3-yl]-2-oxoacetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-[1-[(4-fluorophenyl)methyl]indol-3-yl]-2-oxoacetamide?
The canonical SMILES for N-(4-bromophenyl)-2-[1-[(4-fluorophenyl)methyl]indol-3-yl]-2-oxoacetamide is O=C(Nc1ccc(Br)cc1)C(=O)c1cn(Cc2ccc(F)cc2)c2ccccc12.
What is the InChIKey of N-(4-bromophenyl)-2-[1-[(4-fluorophenyl)methyl]indol-3-yl]-2-oxoacetamide?
The InChIKey is WAOYFGDPCHQLRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16BrFN2O2/c24-16-7-11-18(12-8-16)26-23(29)22(28)20-14-27(21-4-2-1-3-19(20)21)13-15-5-9-17(25)10-6-15/h1-12,14H,13H2,(H,26,29).
What are the key properties of N-(4-bromophenyl)-2-[1-[(4-fluorophenyl)methyl]indol-3-yl]-2-oxoacetamide?
N-(4-bromophenyl)-2-[1-[(4-fluorophenyl)methyl]indol-3-yl]-2-oxoacetamide has a molecular weight of 451.30 g/mol, XLogP of 5.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-[1-[(4-fluorophenyl)methyl]indol-3-yl]-2-oxoacetamide is sourced from PubChem (CID 46227998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).