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

C16H14ClN3O — CID 114935940

IUPAC2-(7-aminoindol-1-yl)-N-(4-chlorophenyl)acetamide
SMILESNc1cccc2ccn(CC(=O)Nc3ccc(Cl)cc3)c12
InChIInChI=1S/C16H14ClN3O/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)
InChIKeyIIDXPUWXKOLKNT-UHFFFAOYSA-N
MW299.76 g/mol
LogP3.52
Rot. Bonds3

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

2-(7-aminoindol-1-yl)-N-(4-chlorophenyl)acetamide (PubChem CID 114935940) has the molecular formula C16H14ClN3O and a molecular weight of 299.76 g/mol. Its IUPAC name is 2-(7-aminoindol-1-yl)-N-(4-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-(7-aminoindol-1-yl)-N-(4-chlorophenyl)acetamide
PubChem CID114935940
Molecular FormulaC16H14ClN3O
Molecular Weight299.76 g/mol
Exact Mass299.08
IUPAC Name2-(7-aminoindol-1-yl)-N-(4-chlorophenyl)acetamide
SMILESNc1cccc2ccn(CC(=O)Nc3ccc(Cl)cc3)c12
InChIInChI=1S/C16H14ClN3O/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)
InChIKeyIIDXPUWXKOLKNT-UHFFFAOYSA-N
XLogP3.52
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 53.52
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-bromophenyl)acetamide
CID 114935756
2-(7-aminoindol-1-yl)-N-(cyanomethyl)acetamide
CID 114935885
methyl 2-(7-aminoindol-1-yl)acetate
CID 114935904
N-(3-amino-4-chlorophenyl)-2-indol-1-ylacetamide
CID 43134811
2-(5-amino-2,4-dioxopyrimidin-1-yl)-N-(4-chlorophenyl)acetamide
CID 63800080
2-(6-chloroindol-1-yl)-N-(4-fluorophenyl)acetamide
CID 115590572
2-(7-chloro-4-oxoquinolin-1-yl)-N-(4-chlorophenyl)acetamide
CID 100738455
2-[4-[(4-chlorophenyl)methyl]-2,3-dioxopyrazin-1-yl]-N-phenylacetamide
CID 22520244
2-(6-chloroindol-1-yl)-N-(3-methylphenyl)acetamide
CID 115590570
N-[(E)-(4-chlorophenyl)methylideneamino]-2-indol-1-ylacetamide
CID 17080178
N-(4-chlorophenyl)-2-[2-(ethylaminomethyl)pyrrol-1-yl]acetamide
CID 66402546
1-[(2,6-dichlorophenyl)methyl]indol-7-amine
CID 114935944

Frequently Asked Questions

What is the IUPAC name of 2-(7-aminoindol-1-yl)-N-(4-chlorophenyl)acetamide?
The IUPAC name of 2-(7-aminoindol-1-yl)-N-(4-chlorophenyl)acetamide (CID 114935940) is 2-(7-aminoindol-1-yl)-N-(4-chlorophenyl)acetamide.
What is the SMILES notation for 2-(7-aminoindol-1-yl)-N-(4-chlorophenyl)acetamide?
The canonical SMILES for 2-(7-aminoindol-1-yl)-N-(4-chlorophenyl)acetamide is Nc1cccc2ccn(CC(=O)Nc3ccc(Cl)cc3)c12.
What is the InChIKey of 2-(7-aminoindol-1-yl)-N-(4-chlorophenyl)acetamide?
The InChIKey is IIDXPUWXKOLKNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O/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-chlorophenyl)acetamide?
2-(7-aminoindol-1-yl)-N-(4-chlorophenyl)acetamide has a molecular weight of 299.76 g/mol, XLogP of 3.52, 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-chlorophenyl)acetamide is sourced from PubChem (CID 114935940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).