2-(6-chloro-1H-indol-3-yl)-2-oxo-N-(4-pyrrol-1-ylphenyl)acetamide

C20H14ClN3O2 — CID 54771358

IUPAC2-(6-chloro-1H-indol-3-yl)-2-oxo-N-(4-pyrrol-1-ylphenyl)acetamide
SMILESO=C(Nc1ccc(-n2cccc2)cc1)C(=O)c1c[nH]c2cc(Cl)ccc12
InChIInChI=1S/C20H14ClN3O2/c21-13-3-8-16-17(12-22-18(16)11-13)19(25)20(26)23-14-4-6-15(7-5-14)24-9-1-2-10-24/h1-12,22H,(H,23,26)
InChIKeyCLIXCERVQNXWBF-UHFFFAOYSA-N
MW363.80 g/mol
LogP4.43
Rot. Bonds4

About 2-(6-chloro-1H-indol-3-yl)-2-oxo-N-(4-pyrrol-1-ylphenyl)acetamide

2-(6-chloro-1H-indol-3-yl)-2-oxo-N-(4-pyrrol-1-ylphenyl)acetamide (PubChem CID 54771358) has the molecular formula C20H14ClN3O2 and a molecular weight of 363.80 g/mol. Its IUPAC name is 2-(6-chloro-1H-indol-3-yl)-2-oxo-N-(4-pyrrol-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(6-chloro-1H-indol-3-yl)-2-oxo-N-(4-pyrrol-1-ylphenyl)acetamide
PubChem CID54771358
Molecular FormulaC20H14ClN3O2
Molecular Weight363.80 g/mol
Exact Mass363.08
IUPAC Name2-(6-chloro-1H-indol-3-yl)-2-oxo-N-(4-pyrrol-1-ylphenyl)acetamide
SMILESO=C(Nc1ccc(-n2cccc2)cc1)C(=O)c1c[nH]c2cc(Cl)ccc12
InChIInChI=1S/C20H14ClN3O2/c21-13-3-8-16-17(12-22-18(16)11-13)19(25)20(26)23-14-4-6-15(7-5-14)24-9-1-2-10-24/h1-12,22H,(H,23,26)
InChIKeyCLIXCERVQNXWBF-UHFFFAOYSA-N
XLogP4.43
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.80
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Indibulin
CID 2929
SB 216763
CID 176158
2-(4-chlorophenyl)-1-(1-pentyl-1H-indol-3-yl)ethanone
CID 44397532
2-(1H-indol-3-yl)-2-oxo-N-(2-phenylethyl)acetamide
CID 2176767
N-(indol-3-ylglyoxylyl)benzylamine
CID 3149447
N-cyclohexyl-2-(1H-indol-3-yl)-2-oxoacetamide
CID 2068180
2-(1H-indol-3-yl)-N-(4-methylphenyl)-2-oxoacetamide
CID 3149444
2-(1H-Indol-3-yl)-N,N-dimethyl-2-oxo-acetamide
CID 34471
N-Ethyl-2-(1H-indol-3-yl)-2-oxoacetamide
CID 41500
Piperazine, 1-(1H-indol-3-yloxoacetyl)-4-phenyl-
CID 3054779
Entasobulin
CID 10203597
2-Chloro-1-(1H-indol-3-yl)-2-phenylethan-1-one
CID 3688662

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-1H-indol-3-yl)-2-oxo-N-(4-pyrrol-1-ylphenyl)acetamide?
The IUPAC name of 2-(6-chloro-1H-indol-3-yl)-2-oxo-N-(4-pyrrol-1-ylphenyl)acetamide (CID 54771358) is 2-(6-chloro-1H-indol-3-yl)-2-oxo-N-(4-pyrrol-1-ylphenyl)acetamide.
What is the SMILES notation for 2-(6-chloro-1H-indol-3-yl)-2-oxo-N-(4-pyrrol-1-ylphenyl)acetamide?
The canonical SMILES for 2-(6-chloro-1H-indol-3-yl)-2-oxo-N-(4-pyrrol-1-ylphenyl)acetamide is O=C(Nc1ccc(-n2cccc2)cc1)C(=O)c1c[nH]c2cc(Cl)ccc12.
What is the InChIKey of 2-(6-chloro-1H-indol-3-yl)-2-oxo-N-(4-pyrrol-1-ylphenyl)acetamide?
The InChIKey is CLIXCERVQNXWBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClN3O2/c21-13-3-8-16-17(12-22-18(16)11-13)19(25)20(26)23-14-4-6-15(7-5-14)24-9-1-2-10-24/h1-12,22H,(H,23,26).
What are the key properties of 2-(6-chloro-1H-indol-3-yl)-2-oxo-N-(4-pyrrol-1-ylphenyl)acetamide?
2-(6-chloro-1H-indol-3-yl)-2-oxo-N-(4-pyrrol-1-ylphenyl)acetamide has a molecular weight of 363.80 g/mol, XLogP of 4.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-1H-indol-3-yl)-2-oxo-N-(4-pyrrol-1-ylphenyl)acetamide is sourced from PubChem (CID 54771358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).