2-(3-bromo-2-methylindol-1-yl)-N-[3-(2-ethoxyethoxymethyl)phenyl]acetamide

C22H25BrN2O3 — CID 55933821

IUPAC2-(3-bromo-2-methylindol-1-yl)-N-[3-(2-ethoxyethoxymethyl)phenyl]acetamide
SMILESCCOCCOCc1cccc(NC(=O)Cn2c(C)c(Br)c3ccccc32)c1
InChIInChI=1S/C22H25BrN2O3/c1-3-27-11-12-28-15-17-7-6-8-18(13-17)24-21(26)14-25-16(2)22(23)19-9-4-5-10-20(19)25/h4-10,13H,3,11-12,14-15H2,1-2H3,(H,24,26)
InChIKeyAROSCWJLUUZYNX-UHFFFAOYSA-N
MW445.36 g/mol
LogP4.90
Rot. Bonds9

About 2-(3-bromo-2-methylindol-1-yl)-N-[3-(2-ethoxyethoxymethyl)phenyl]acetamide

2-(3-bromo-2-methylindol-1-yl)-N-[3-(2-ethoxyethoxymethyl)phenyl]acetamide (PubChem CID 55933821) has the molecular formula C22H25BrN2O3 and a molecular weight of 445.36 g/mol. Its IUPAC name is 2-(3-bromo-2-methylindol-1-yl)-N-[3-(2-ethoxyethoxymethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(3-bromo-2-methylindol-1-yl)-N-[3-(2-ethoxyethoxymethyl)phenyl]acetamide
PubChem CID55933821
Molecular FormulaC22H25BrN2O3
Molecular Weight445.36 g/mol
Exact Mass444.10
IUPAC Name2-(3-bromo-2-methylindol-1-yl)-N-[3-(2-ethoxyethoxymethyl)phenyl]acetamide
SMILESCCOCCOCc1cccc(NC(=O)Cn2c(C)c(Br)c3ccccc32)c1
InChIInChI=1S/C22H25BrN2O3/c1-3-27-11-12-28-15-17-7-6-8-18(13-17)24-21(26)14-25-16(2)22(23)19-9-4-5-10-20(19)25/h4-10,13H,3,11-12,14-15H2,1-2H3,(H,24,26)
InChIKeyAROSCWJLUUZYNX-UHFFFAOYSA-N
XLogP4.90
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.36
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-bromo-2-methylindol-1-yl)-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]acetamide
CID 52661750
2-amino-N-[3-(2-ethoxyethoxymethyl)phenyl]benzamide
CID 119944526
2-amino-N-[3-(2-ethoxyethoxymethyl)phenyl]benzamide;hydrochloride
CID 119944525
2-(3-bromo-2-methylindol-1-yl)-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]acetamide
CID 60521532
2-(3-bromo-2-methylindol-1-yl)-N-(2-methyl-1,3-benzoxazol-6-yl)acetamide
CID 51120484
4-amino-N-[3-(2-ethoxyethoxymethyl)phenyl]butanamide;hydrochloride
CID 119289103
1-[[2-(3-bromo-2-methylindol-1-yl)acetyl]amino]-3-methylurea
CID 47383615
2-(3-bromo-2-methylindol-1-yl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)acetamide
CID 52661626
2-[[2-(3-bromo-2-methylindol-1-yl)acetyl]amino]propanoic acid
CID 119225645
2-(3-bromo-2-methylindol-1-yl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
CID 55953512
2-(3-bromo-2-methylindol-1-yl)-N-[2-(methanesulfonamido)phenyl]acetamide
CID 52714750
2-(3-bromo-2-methylindol-1-yl)-N-(2-methyl-3-nitrophenyl)acetamide
CID 60548874

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2-methylindol-1-yl)-N-[3-(2-ethoxyethoxymethyl)phenyl]acetamide?
The IUPAC name of 2-(3-bromo-2-methylindol-1-yl)-N-[3-(2-ethoxyethoxymethyl)phenyl]acetamide (CID 55933821) is 2-(3-bromo-2-methylindol-1-yl)-N-[3-(2-ethoxyethoxymethyl)phenyl]acetamide.
What is the SMILES notation for 2-(3-bromo-2-methylindol-1-yl)-N-[3-(2-ethoxyethoxymethyl)phenyl]acetamide?
The canonical SMILES for 2-(3-bromo-2-methylindol-1-yl)-N-[3-(2-ethoxyethoxymethyl)phenyl]acetamide is CCOCCOCc1cccc(NC(=O)Cn2c(C)c(Br)c3ccccc32)c1.
What is the InChIKey of 2-(3-bromo-2-methylindol-1-yl)-N-[3-(2-ethoxyethoxymethyl)phenyl]acetamide?
The InChIKey is AROSCWJLUUZYNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25BrN2O3/c1-3-27-11-12-28-15-17-7-6-8-18(13-17)24-21(26)14-25-16(2)22(23)19-9-4-5-10-20(19)25/h4-10,13H,3,11-12,14-15H2,1-2H3,(H,24,26).
What are the key properties of 2-(3-bromo-2-methylindol-1-yl)-N-[3-(2-ethoxyethoxymethyl)phenyl]acetamide?
2-(3-bromo-2-methylindol-1-yl)-N-[3-(2-ethoxyethoxymethyl)phenyl]acetamide has a molecular weight of 445.36 g/mol, XLogP of 4.90, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2-methylindol-1-yl)-N-[3-(2-ethoxyethoxymethyl)phenyl]acetamide is sourced from PubChem (CID 55933821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).