2-(7-aminoindol-1-yl)-N-(4-bromophenyl)acetamide

C16H14BrN3O — CID 114935756

IUPAC2-(7-aminoindol-1-yl)-N-(4-bromophenyl)acetamide
SMILESNc1cccc2ccn(CC(=O)Nc3ccc(Br)cc3)c12
InChIInChI=1S/C16H14BrN3O/c17-12-4-6-13(7-5-12)19-15(21)10-20-9-8-11-2-1-3-14(18)16(11)20/h1-9H,10,18H2,(H,19,21)
InChIKeyWHOADFYMDKRWIM-UHFFFAOYSA-N
MW344.21 g/mol
LogP3.62
Rot. Bonds3

About 2-(7-aminoindol-1-yl)-N-(4-bromophenyl)acetamide

2-(7-aminoindol-1-yl)-N-(4-bromophenyl)acetamide (PubChem CID 114935756) has the molecular formula C16H14BrN3O and a molecular weight of 344.21 g/mol. Its IUPAC name is 2-(7-aminoindol-1-yl)-N-(4-bromophenyl)acetamide.

Molecular Properties

Compound Name2-(7-aminoindol-1-yl)-N-(4-bromophenyl)acetamide
PubChem CID114935756
Molecular FormulaC16H14BrN3O
Molecular Weight344.21 g/mol
Exact Mass343.03
IUPAC Name2-(7-aminoindol-1-yl)-N-(4-bromophenyl)acetamide
SMILESNc1cccc2ccn(CC(=O)Nc3ccc(Br)cc3)c12
InChIInChI=1S/C16H14BrN3O/c17-12-4-6-13(7-5-12)19-15(21)10-20-9-8-11-2-1-3-14(18)16(11)20/h1-9H,10,18H2,(H,19,21)
InChIKeyWHOADFYMDKRWIM-UHFFFAOYSA-N
XLogP3.62
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.21
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(7-aminoindol-1-yl)-N-(4-chlorophenyl)acetamide
CID 114935940
2-(5-bromoindol-1-yl)-N-(4-bromophenyl)acetamide
CID 4291378
methyl 2-(7-aminoindol-1-yl)acetate
CID 114935904
N-(4-bromophenyl)-2-(6-methylindol-1-yl)acetamide
CID 116546776
2-(2-amino-6-chlorophenyl)sulfanyl-N-(4-bromophenyl)acetamide
CID 43304961
N-(4-bromophenyl)-2-(3-ethyl-2-oxoimidazol-1-yl)acetamide
CID 116624275
2-(5-amino-3-bromo-2-oxo-1-pyridinyl)-N-(4-bromophenyl)acetamide
CID 80501784
N-(3-amino-4-chlorophenyl)-2-indol-1-ylacetamide
CID 43134811
2-[2-(4-bromoanilino)-2-oxoethyl]sulfanyl-N-(4-bromophenyl)acetamide
CID 3567894
3-(2-aminophenoxy)-N-(4-bromophenyl)propanamide
CID 61091327
2-(6-bromoindol-1-yl)-N-(3-chlorophenyl)acetamide
CID 116621944
N-(4-bromophenyl)-2-(2-methylindol-1-yl)acetamide
CID 4226117

Frequently Asked Questions

What is the IUPAC name of 2-(7-aminoindol-1-yl)-N-(4-bromophenyl)acetamide?
The IUPAC name of 2-(7-aminoindol-1-yl)-N-(4-bromophenyl)acetamide (CID 114935756) is 2-(7-aminoindol-1-yl)-N-(4-bromophenyl)acetamide.
What is the SMILES notation for 2-(7-aminoindol-1-yl)-N-(4-bromophenyl)acetamide?
The canonical SMILES for 2-(7-aminoindol-1-yl)-N-(4-bromophenyl)acetamide is Nc1cccc2ccn(CC(=O)Nc3ccc(Br)cc3)c12.
What is the InChIKey of 2-(7-aminoindol-1-yl)-N-(4-bromophenyl)acetamide?
The InChIKey is WHOADFYMDKRWIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3O/c17-12-4-6-13(7-5-12)19-15(21)10-20-9-8-11-2-1-3-14(18)16(11)20/h1-9H,10,18H2,(H,19,21).
What are the key properties of 2-(7-aminoindol-1-yl)-N-(4-bromophenyl)acetamide?
2-(7-aminoindol-1-yl)-N-(4-bromophenyl)acetamide has a molecular weight of 344.21 g/mol, XLogP of 3.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-aminoindol-1-yl)-N-(4-bromophenyl)acetamide is sourced from PubChem (CID 114935756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).