2-[1-(4-bromobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[2-(dimethylamino)ethyl]acetamide

C23H26BrN3O3 — CID 70682808

IUPAC2-[1-(4-bromobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[2-(dimethylamino)ethyl]acetamide
SMILESCC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Br)C=CC(=C2)OC)CC(=O)NCCN(C)C
InChIInChI=1S/C23H26BrN3O3/c1-15-19(14-22(28)25-11-12-26(2)3)20-13-18(30-4)9-10-21(20)27(15)23(29)16-5-7-17(24)8-6-16/h5-10,13H,11-12,14H2,1-4H3,(H,25,28)
InChIKeyVXDZDBJAZAHBLQ-UHFFFAOYSA-N
MW472.40 g/mol
LogP4.10
Rot. Bonds7

About 2-[1-(4-bromobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[2-(dimethylamino)ethyl]acetamide

2-[1-(4-bromobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[2-(dimethylamino)ethyl]acetamide (PubChem CID 70682808) has the molecular formula C23H26BrN3O3 and a molecular weight of 472.40 g/mol. Its IUPAC name is 2-[1-(4-bromobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[2-(dimethylamino)ethyl]acetamide.

Molecular Properties

Compound Name2-[1-(4-bromobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[2-(dimethylamino)ethyl]acetamide
PubChem CID70682808
Molecular FormulaC23H26BrN3O3
Molecular Weight472.40 g/mol
Exact Mass471.12
IUPAC Name2-[1-(4-bromobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[2-(dimethylamino)ethyl]acetamide
SMILESCC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Br)C=CC(=C2)OC)CC(=O)NCCN(C)C
InChIInChI=1S/C23H26BrN3O3/c1-15-19(14-22(28)25-11-12-26(2)3)20-13-18(30-4)9-10-21(20)27(15)23(29)16-5-7-17(24)8-6-16/h5-10,13H,11-12,14H2,1-4H3,(H,25,28)
InChIKeyVXDZDBJAZAHBLQ-UHFFFAOYSA-N
XLogP4.10
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity594

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.40
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

LM-4108
CID 4292
Asp-9521
CID 25210792
2,3,4,9-Tetrahydro-6-methoxy-1H-pyrido(3,4-b)indol-1-one
CID 87372
1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-acetamide
CID 22633
N-(1-Isopropylpiperidin-4-YL)-1-(3-methoxybenzyl)-1H-indole-2-carboxamide
CID 6540267
2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]-n-[(1R)-1-(hydroxymethyl)propyl]acetamide
CID 16741227
2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]-n-[(1S)-1-(hydroxymethyl)propyl]acetamide
CID 16741228
2-(1-Benzyl-5-methoxy-2-methyl-1h-indol-3-yl)acetamide
CID 244154
1-(4-Bromobenzyl)-5-methoxy-2-methylindole-3-acetic acid
CID 10810285
2-Bromomelatonin
CID 126731
1-Benzoyl-5-methoxy-2-methylindole-3-acetic acid
CID 4177957
Piperazine, 1-((5-methoxyindol-2-yl)carbonyl)-4-methyl-
CID 206876

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-bromobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[2-(dimethylamino)ethyl]acetamide?
The IUPAC name of 2-[1-(4-bromobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[2-(dimethylamino)ethyl]acetamide (CID 70682808) is 2-[1-(4-bromobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[2-(dimethylamino)ethyl]acetamide.
What is the SMILES notation for 2-[1-(4-bromobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[2-(dimethylamino)ethyl]acetamide?
The canonical SMILES for 2-[1-(4-bromobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[2-(dimethylamino)ethyl]acetamide is CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Br)C=CC(=C2)OC)CC(=O)NCCN(C)C.
What is the InChIKey of 2-[1-(4-bromobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[2-(dimethylamino)ethyl]acetamide?
The InChIKey is VXDZDBJAZAHBLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26BrN3O3/c1-15-19(14-22(28)25-11-12-26(2)3)20-13-18(30-4)9-10-21(20)27(15)23(29)16-5-7-17(24)8-6-16/h5-10,13H,11-12,14H2,1-4H3,(H,25,28).
What are the key properties of 2-[1-(4-bromobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[2-(dimethylamino)ethyl]acetamide?
2-[1-(4-bromobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[2-(dimethylamino)ethyl]acetamide has a molecular weight of 472.40 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-bromobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[2-(dimethylamino)ethyl]acetamide is sourced from PubChem (CID 70682808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).