2-[3-(4-bromophenyl)-4,6-dimethoxy-1H-indol-2-yl]-N,N-dimethyl-2-oxoacetamide

C20H19BrN2O4 — CID 102085343

IUPAC2-[3-(4-bromophenyl)-4,6-dimethoxy-1H-indol-2-yl]-N,N-dimethyl-2-oxoacetamide
SMILESCOc1cc(OC)c2c(-c3ccc(Br)cc3)c(C(=O)C(=O)N(C)C)[nH]c2c1
InChIInChI=1S/C20H19BrN2O4/c1-23(2)20(25)19(24)18-16(11-5-7-12(21)8-6-11)17-14(22-18)9-13(26-3)10-15(17)27-4/h5-10,22H,1-4H3
InChIKeyACIYKIWWOINEIU-UHFFFAOYSA-N
MW431.29 g/mol
LogP3.89
Rot. Bonds5

About 2-[3-(4-bromophenyl)-4,6-dimethoxy-1H-indol-2-yl]-N,N-dimethyl-2-oxoacetamide

2-[3-(4-bromophenyl)-4,6-dimethoxy-1H-indol-2-yl]-N,N-dimethyl-2-oxoacetamide (PubChem CID 102085343) has the molecular formula C20H19BrN2O4 and a molecular weight of 431.29 g/mol. Its IUPAC name is 2-[3-(4-bromophenyl)-4,6-dimethoxy-1H-indol-2-yl]-N,N-dimethyl-2-oxoacetamide.

Molecular Properties

Compound Name2-[3-(4-bromophenyl)-4,6-dimethoxy-1H-indol-2-yl]-N,N-dimethyl-2-oxoacetamide
PubChem CID102085343
Molecular FormulaC20H19BrN2O4
Molecular Weight431.29 g/mol
Exact Mass430.05
IUPAC Name2-[3-(4-bromophenyl)-4,6-dimethoxy-1H-indol-2-yl]-N,N-dimethyl-2-oxoacetamide
SMILESCOc1cc(OC)c2c(-c3ccc(Br)cc3)c(C(=O)C(=O)N(C)C)[nH]c2c1
InChIInChI=1S/C20H19BrN2O4/c1-23(2)20(25)19(24)18-16(11-5-7-12(21)8-6-11)17-14(22-18)9-13(26-3)10-15(17)27-4/h5-10,22H,1-4H3
InChIKeyACIYKIWWOINEIU-UHFFFAOYSA-N
XLogP3.89
TPSA71.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.29
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(4-chlorophenyl)-4,6-dimethoxy-1H-indol-2-yl]-2-piperidin-1-ylethane-1,2-dione
CID 118727765
4-[3-(4-bromophenyl)-4,6-dimethoxy-1-methylindol-2-yl]-4-(4-chlorophenyl)butan-2-one
CID 102036626
N-(dimethylaminomethylidene)-5,6-dimethoxy-3-(4-methoxyphenyl)-1H-indole-2-carboxamide
CID 69335099
1,3,8,9-tetramethoxy-5H-phenanthridin-6-one
CID 12803228
3-(4-hydroxyphenyl)-5,7-dimethoxy-1H-quinolin-2-one
CID 10990147
3-(4-bromophenyl)-2-[3-(4-bromophenyl)-4,6-bis(4-methoxyphenyl)-1H-indol-2-yl]-4,6-bis(4-methoxyphenyl)-1H-indole
CID 101461868
5,7-dimethoxy-4-phenyl-1H-quinolin-2-one
CID 91614117
1-(4-bromophenyl)-2,4-dimethoxybenzene
CID 83666366
2-(4-fluorophenyl)-3,5,7-trimethoxy-1H-quinolin-4-one
CID 10806224
5,7-dimethoxy-3-(4-methoxyphenyl)-1H-quinazoline-2,4-dione
CID 11580706
(7-methoxy-2-oxo-3-phenyl-1H-quinolin-4-yl) N,N-dimethylcarbamate
CID 2785009
ethyl 4-(3,5,7-trimethoxy-4-oxo-1H-quinolin-2-yl)benzoate
CID 10833824

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-bromophenyl)-4,6-dimethoxy-1H-indol-2-yl]-N,N-dimethyl-2-oxoacetamide?
The IUPAC name of 2-[3-(4-bromophenyl)-4,6-dimethoxy-1H-indol-2-yl]-N,N-dimethyl-2-oxoacetamide (CID 102085343) is 2-[3-(4-bromophenyl)-4,6-dimethoxy-1H-indol-2-yl]-N,N-dimethyl-2-oxoacetamide.
What is the SMILES notation for 2-[3-(4-bromophenyl)-4,6-dimethoxy-1H-indol-2-yl]-N,N-dimethyl-2-oxoacetamide?
The canonical SMILES for 2-[3-(4-bromophenyl)-4,6-dimethoxy-1H-indol-2-yl]-N,N-dimethyl-2-oxoacetamide is COc1cc(OC)c2c(-c3ccc(Br)cc3)c(C(=O)C(=O)N(C)C)[nH]c2c1.
What is the InChIKey of 2-[3-(4-bromophenyl)-4,6-dimethoxy-1H-indol-2-yl]-N,N-dimethyl-2-oxoacetamide?
The InChIKey is ACIYKIWWOINEIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrN2O4/c1-23(2)20(25)19(24)18-16(11-5-7-12(21)8-6-11)17-14(22-18)9-13(26-3)10-15(17)27-4/h5-10,22H,1-4H3.
What are the key properties of 2-[3-(4-bromophenyl)-4,6-dimethoxy-1H-indol-2-yl]-N,N-dimethyl-2-oxoacetamide?
2-[3-(4-bromophenyl)-4,6-dimethoxy-1H-indol-2-yl]-N,N-dimethyl-2-oxoacetamide has a molecular weight of 431.29 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-bromophenyl)-4,6-dimethoxy-1H-indol-2-yl]-N,N-dimethyl-2-oxoacetamide is sourced from PubChem (CID 102085343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).