2-(3-bromo-2-methylindol-1-yl)-N-ethyl-N-(2-hydroxyethyl)acetamide

C15H19BrN2O2 — CID 78901896

IUPAC2-(3-bromo-2-methylindol-1-yl)-N-ethyl-N-(2-hydroxyethyl)acetamide
SMILESCCN(CCO)C(=O)Cn1c(C)c(Br)c2ccccc21
InChIInChI=1S/C15H19BrN2O2/c1-3-17(8-9-19)14(20)10-18-11(2)15(16)12-6-4-5-7-13(12)18/h4-7,19H,3,8-10H2,1-2H3
InChIKeyHCFIAYRFSHLRLB-UHFFFAOYSA-N
MW339.23 g/mol
LogP2.55
Rot. Bonds5

About 2-(3-bromo-2-methylindol-1-yl)-N-ethyl-N-(2-hydroxyethyl)acetamide

2-(3-bromo-2-methylindol-1-yl)-N-ethyl-N-(2-hydroxyethyl)acetamide (PubChem CID 78901896) has the molecular formula C15H19BrN2O2 and a molecular weight of 339.23 g/mol. Its IUPAC name is 2-(3-bromo-2-methylindol-1-yl)-N-ethyl-N-(2-hydroxyethyl)acetamide.

Molecular Properties

Compound Name2-(3-bromo-2-methylindol-1-yl)-N-ethyl-N-(2-hydroxyethyl)acetamide
PubChem CID78901896
Molecular FormulaC15H19BrN2O2
Molecular Weight339.23 g/mol
Exact Mass338.06
IUPAC Name2-(3-bromo-2-methylindol-1-yl)-N-ethyl-N-(2-hydroxyethyl)acetamide
SMILESCCN(CCO)C(=O)Cn1c(C)c(Br)c2ccccc21
InChIInChI=1S/C15H19BrN2O2/c1-3-17(8-9-19)14(20)10-18-11(2)15(16)12-6-4-5-7-13(12)18/h4-7,19H,3,8-10H2,1-2H3
InChIKeyHCFIAYRFSHLRLB-UHFFFAOYSA-N
XLogP2.55
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.23
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-oxoethyl)-2-(3-bromo-2-methylindol-1-yl)-N-methylacetamide
CID 47414841
N,N-diethyl-2-(3-formyl-2-methylindol-1-yl)acetamide
CID 802955
1-(3-bromo-2-methylindol-1-yl)-3-methoxypropan-2-one
CID 107507755
2-(3-bromo-2-methylindol-1-yl)-1-(2-chlorophenyl)ethanone
CID 63568306
2-carbazol-9-yl-N,N-dipropylacetamide
CID 14874688
N-ethyl-N-(2-hydroxyethyl)-2-(4-oxocinnolin-1-yl)acetamide
CID 78855476
2-[[2-(3-bromo-2-methylindol-1-yl)acetyl]amino]propanoic acid
CID 119225645
1-[[2-(3-bromo-2-methylindol-1-yl)acetyl]amino]-3-methylurea
CID 47383615
N-(2-hydroxyethyl)-N-methyl-2-(9-oxoacridin-10-yl)acetamide
CID 110885996
4-(3-bromo-2-methylindol-1-yl)-2-ethylbut-2-enoic acid
CID 77102177
2-(3-bromo-2-methylindol-1-yl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]acetamide
CID 55818659
2-(2,5-dimethylpyrrol-1-yl)-N,N-diethylacetamide
CID 110688830

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2-methylindol-1-yl)-N-ethyl-N-(2-hydroxyethyl)acetamide?
The IUPAC name of 2-(3-bromo-2-methylindol-1-yl)-N-ethyl-N-(2-hydroxyethyl)acetamide (CID 78901896) is 2-(3-bromo-2-methylindol-1-yl)-N-ethyl-N-(2-hydroxyethyl)acetamide.
What is the SMILES notation for 2-(3-bromo-2-methylindol-1-yl)-N-ethyl-N-(2-hydroxyethyl)acetamide?
The canonical SMILES for 2-(3-bromo-2-methylindol-1-yl)-N-ethyl-N-(2-hydroxyethyl)acetamide is CCN(CCO)C(=O)Cn1c(C)c(Br)c2ccccc21.
What is the InChIKey of 2-(3-bromo-2-methylindol-1-yl)-N-ethyl-N-(2-hydroxyethyl)acetamide?
The InChIKey is HCFIAYRFSHLRLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O2/c1-3-17(8-9-19)14(20)10-18-11(2)15(16)12-6-4-5-7-13(12)18/h4-7,19H,3,8-10H2,1-2H3.
What are the key properties of 2-(3-bromo-2-methylindol-1-yl)-N-ethyl-N-(2-hydroxyethyl)acetamide?
2-(3-bromo-2-methylindol-1-yl)-N-ethyl-N-(2-hydroxyethyl)acetamide has a molecular weight of 339.23 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2-methylindol-1-yl)-N-ethyl-N-(2-hydroxyethyl)acetamide is sourced from PubChem (CID 78901896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).