2-(3-amino-6-bromo-2-oxo-3H-indol-1-yl)-N-(cyanomethyl)acetamide

C12H11BrN4O2 — CID 43255280

IUPAC2-(3-amino-6-bromo-2-oxo-3H-indol-1-yl)-N-(cyanomethyl)acetamide
SMILESN#CCNC(=O)CN1C(=O)C(N)c2ccc(Br)cc21
InChIInChI=1S/C12H11BrN4O2/c13-7-1-2-8-9(5-7)17(12(19)11(8)15)6-10(18)16-4-3-14/h1-2,5,11H,4,6,15H2,(H,16,18)
InChIKeyMASALOYWULRCSL-UHFFFAOYSA-N
MW323.15 g/mol
LogP0.44
Rot. Bonds3

About 2-(3-amino-6-bromo-2-oxo-3H-indol-1-yl)-N-(cyanomethyl)acetamide

2-(3-amino-6-bromo-2-oxo-3H-indol-1-yl)-N-(cyanomethyl)acetamide (PubChem CID 43255280) has the molecular formula C12H11BrN4O2 and a molecular weight of 323.15 g/mol. Its IUPAC name is 2-(3-amino-6-bromo-2-oxo-3H-indol-1-yl)-N-(cyanomethyl)acetamide.

Molecular Properties

Compound Name2-(3-amino-6-bromo-2-oxo-3H-indol-1-yl)-N-(cyanomethyl)acetamide
PubChem CID43255280
Molecular FormulaC12H11BrN4O2
Molecular Weight323.15 g/mol
Exact Mass322.01
IUPAC Name2-(3-amino-6-bromo-2-oxo-3H-indol-1-yl)-N-(cyanomethyl)acetamide
SMILESN#CCNC(=O)CN1C(=O)C(N)c2ccc(Br)cc21
InChIInChI=1S/C12H11BrN4O2/c13-7-1-2-8-9(5-7)17(12(19)11(8)15)6-10(18)16-4-3-14/h1-2,5,11H,4,6,15H2,(H,16,18)
InChIKeyMASALOYWULRCSL-UHFFFAOYSA-N
XLogP0.44
TPSA99.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.15
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(3-amino-6-bromo-2-oxo-3H-indol-1-yl)-N-(cyanomethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-amino-5-bromo-2-oxo-3H-indol-1-yl)-N-tert-butylacetamide
CID 43255085
2-(3-amino-6-bromo-2-oxo-3H-indol-1-yl)-N-methyl-N-propan-2-ylacetamide
CID 43255271
3-amino-6-bromo-1-(2-oxo-2-pyrrolidin-1-ylethyl)-3H-indol-2-one
CID 43255301
2-(3-amino-5-methyl-2-oxo-3H-indol-1-yl)-N-(2-cyanoethyl)acetamide
CID 43254827
2-(3-amino-6-fluoro-2-oxo-3H-indol-1-yl)-N-(2-methylpropyl)acetamide
CID 43255159
2-(3-amino-5-bromo-2-oxo-3H-indol-1-yl)-N,N-dimethylacetamide
CID 43255081
2-(7-amino-2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(cyanomethyl)acetamide
CID 62989118
3-amino-6-bromo-1-[(4-fluorophenyl)methyl]-3H-indol-2-one
CID 43255296
2-(3-amino-5-nitro-2-oxo-3H-indol-1-yl)-N-propylacetamide
CID 43254947
3-amino-5-bromo-1-(2-oxo-2-pyrrolidin-1-ylethyl)-3H-indol-2-one
CID 43255083
2-(3-amino-5-chloro-2-oxo-3H-indol-1-yl)-N-propan-2-ylacetamide
CID 43254924
2-(3-amino-5-fluoro-2-oxo-3H-indol-1-yl)-N-(cyclopropylmethyl)acetamide
CID 43254761

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-6-bromo-2-oxo-3H-indol-1-yl)-N-(cyanomethyl)acetamide?
The IUPAC name of 2-(3-amino-6-bromo-2-oxo-3H-indol-1-yl)-N-(cyanomethyl)acetamide (CID 43255280) is 2-(3-amino-6-bromo-2-oxo-3H-indol-1-yl)-N-(cyanomethyl)acetamide.
What is the SMILES notation for 2-(3-amino-6-bromo-2-oxo-3H-indol-1-yl)-N-(cyanomethyl)acetamide?
The canonical SMILES for 2-(3-amino-6-bromo-2-oxo-3H-indol-1-yl)-N-(cyanomethyl)acetamide is N#CCNC(=O)CN1C(=O)C(N)c2ccc(Br)cc21.
What is the InChIKey of 2-(3-amino-6-bromo-2-oxo-3H-indol-1-yl)-N-(cyanomethyl)acetamide?
The InChIKey is MASALOYWULRCSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN4O2/c13-7-1-2-8-9(5-7)17(12(19)11(8)15)6-10(18)16-4-3-14/h1-2,5,11H,4,6,15H2,(H,16,18).
What are the key properties of 2-(3-amino-6-bromo-2-oxo-3H-indol-1-yl)-N-(cyanomethyl)acetamide?
2-(3-amino-6-bromo-2-oxo-3H-indol-1-yl)-N-(cyanomethyl)acetamide has a molecular weight of 323.15 g/mol, XLogP of 0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-6-bromo-2-oxo-3H-indol-1-yl)-N-(cyanomethyl)acetamide is sourced from PubChem (CID 43255280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).