2-(5-bromo-2-oxo-3H-indol-1-yl)-N-butylacetamide

C14H17BrN2O2 — CID 95922016

IUPAC2-(5-bromo-2-oxo-3H-indol-1-yl)-N-butylacetamide
SMILESCCCCNC(=O)CN1C(=O)Cc2cc(Br)ccc21
InChIInChI=1S/C14H17BrN2O2/c1-2-3-6-16-13(18)9-17-12-5-4-11(15)7-10(12)8-14(17)19/h4-5,7H,2-3,6,8-9H2,1H3,(H,16,18)
InChIKeyBIDYCLQRYREKPF-UHFFFAOYSA-N
MW325.21 g/mol
LogP2.25
Rot. Bonds5

About 2-(5-bromo-2-oxo-3H-indol-1-yl)-N-butylacetamide

2-(5-bromo-2-oxo-3H-indol-1-yl)-N-butylacetamide (PubChem CID 95922016) has the molecular formula C14H17BrN2O2 and a molecular weight of 325.21 g/mol. Its IUPAC name is 2-(5-bromo-2-oxo-3H-indol-1-yl)-N-butylacetamide.

Molecular Properties

Compound Name2-(5-bromo-2-oxo-3H-indol-1-yl)-N-butylacetamide
PubChem CID95922016
Molecular FormulaC14H17BrN2O2
Molecular Weight325.21 g/mol
Exact Mass324.05
IUPAC Name2-(5-bromo-2-oxo-3H-indol-1-yl)-N-butylacetamide
SMILESCCCCNC(=O)CN1C(=O)Cc2cc(Br)ccc21
InChIInChI=1S/C14H17BrN2O2/c1-2-3-6-16-13(18)9-17-12-5-4-11(15)7-10(12)8-14(17)19/h4-5,7H,2-3,6,8-9H2,1H3,(H,16,18)
InChIKeyBIDYCLQRYREKPF-UHFFFAOYSA-N
XLogP2.25
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.21
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(5-bromo-2,3-dioxoindol-1-yl)-N-butylacetamide
CID 61485417
2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-propylacetamide
CID 39043950
2-(7-amino-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-butylacetamide
CID 61485959
6-[[2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]hexanoic acid
CID 119220106
2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(methylamino)ethyl]acetamide
CID 119502516
2-[7-(aminomethyl)-3-oxo-1,4-benzoxazin-4-yl]-N-butylacetamide
CID 82338764
N-(2-hydroxyethyl)-2-(2-oxo-3H-indol-1-yl)acetamide
CID 43509738
1-ethyl-2-oxo-N-propyl-3H-indole-5-carboxamide
CID 71840741
2-(5-amino-2-oxo-3H-indol-1-yl)-N-(cyanomethyl)acetamide
CID 43382542
N-butyl-2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 15995960
2-(6-bromo-2-oxo-3,4-dihydroquinolin-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 22576597
2-(5-chloro-2-oxo-3H-indol-1-yl)-N-[2-(2-chlorophenyl)ethyl]acetamide
CID 67247022

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-oxo-3H-indol-1-yl)-N-butylacetamide?
The IUPAC name of 2-(5-bromo-2-oxo-3H-indol-1-yl)-N-butylacetamide (CID 95922016) is 2-(5-bromo-2-oxo-3H-indol-1-yl)-N-butylacetamide.
What is the SMILES notation for 2-(5-bromo-2-oxo-3H-indol-1-yl)-N-butylacetamide?
The canonical SMILES for 2-(5-bromo-2-oxo-3H-indol-1-yl)-N-butylacetamide is CCCCNC(=O)CN1C(=O)Cc2cc(Br)ccc21.
What is the InChIKey of 2-(5-bromo-2-oxo-3H-indol-1-yl)-N-butylacetamide?
The InChIKey is BIDYCLQRYREKPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O2/c1-2-3-6-16-13(18)9-17-12-5-4-11(15)7-10(12)8-14(17)19/h4-5,7H,2-3,6,8-9H2,1H3,(H,16,18).
What are the key properties of 2-(5-bromo-2-oxo-3H-indol-1-yl)-N-butylacetamide?
2-(5-bromo-2-oxo-3H-indol-1-yl)-N-butylacetamide has a molecular weight of 325.21 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-oxo-3H-indol-1-yl)-N-butylacetamide is sourced from PubChem (CID 95922016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).