N-[(5-bromoindol-1-yl)methyl]acetamide

C11H11BrN2O — CID 173119259

IUPACN-[(5-bromoindol-1-yl)methyl]acetamide
SMILESCC(=O)NCn1ccc2cc(Br)ccc21
InChIInChI=1S/C11H11BrN2O/c1-8(15)13-7-14-5-4-9-6-10(12)2-3-11(9)14/h2-6H,7H2,1H3,(H,13,15)
InChIKeySSZXLWXYKCRYGQ-UHFFFAOYSA-N
MW267.13 g/mol
LogP2.50
Rot. Bonds2

About N-[(5-bromoindol-1-yl)methyl]acetamide

N-[(5-bromoindol-1-yl)methyl]acetamide (PubChem CID 173119259) has the molecular formula C11H11BrN2O and a molecular weight of 267.13 g/mol. Its IUPAC name is N-[(5-bromoindol-1-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(5-bromoindol-1-yl)methyl]acetamide
PubChem CID173119259
Molecular FormulaC11H11BrN2O
Molecular Weight267.13 g/mol
Exact Mass266.01
IUPAC NameN-[(5-bromoindol-1-yl)methyl]acetamide
SMILESCC(=O)NCn1ccc2cc(Br)ccc21
InChIInChI=1S/C11H11BrN2O/c1-8(15)13-7-14-5-4-9-6-10(12)2-3-11(9)14/h2-6H,7H2,1H3,(H,13,15)
InChIKeySSZXLWXYKCRYGQ-UHFFFAOYSA-N
XLogP2.50
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.13
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-bromoindol-1-yl)-N-(4-bromophenyl)acetamide
CID 4291378
2-(5-bromoindol-1-yl)-1-(1-methylpyrrol-3-yl)ethanone
CID 62024127
N-(2-bromo-4,5-dimethylphenyl)-2-(5-bromoindol-1-yl)acetamide
CID 4048909
(2S)-2-[[2-(5-bromoindol-1-yl)acetyl]amino]-3-methylbutanoic acid
CID 39310431
2-(5-bromoindol-1-yl)-1-(2,4-dimethylphenyl)ethanone
CID 63567580
2-(5-bromoindol-1-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 40631420
5-(5-bromoindol-1-yl)pentanoic acid
CID 43152065
2-(5-bromoindol-1-yl)-N-(3,4-dimethoxyphenyl)acetamide
CID 42537123
4-(5-bromoindol-1-yl)but-2-enoic acid
CID 76940467
N-(4-bromo-3-chlorophenyl)-2-(5-bromoindol-1-yl)acetamide
CID 4063742
2-(5-bromoindol-1-yl)-N-(2,5-dichlorophenyl)acetamide
CID 4571080
2-(5-bromoindol-1-yl)-N-(2,3,4-trifluorophenyl)acetamide
CID 4070259

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromoindol-1-yl)methyl]acetamide?
The IUPAC name of N-[(5-bromoindol-1-yl)methyl]acetamide (CID 173119259) is N-[(5-bromoindol-1-yl)methyl]acetamide.
What is the SMILES notation for N-[(5-bromoindol-1-yl)methyl]acetamide?
The canonical SMILES for N-[(5-bromoindol-1-yl)methyl]acetamide is CC(=O)NCn1ccc2cc(Br)ccc21.
What is the InChIKey of N-[(5-bromoindol-1-yl)methyl]acetamide?
The InChIKey is SSZXLWXYKCRYGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O/c1-8(15)13-7-14-5-4-9-6-10(12)2-3-11(9)14/h2-6H,7H2,1H3,(H,13,15).
What are the key properties of N-[(5-bromoindol-1-yl)methyl]acetamide?
N-[(5-bromoindol-1-yl)methyl]acetamide has a molecular weight of 267.13 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromoindol-1-yl)methyl]acetamide is sourced from PubChem (CID 173119259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).