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

C20H18ClN3O2 — CID 113208869

IUPAC2-(6-chloro-1H-indol-3-yl)-2-oxo-N-(4-pyrrolidin-1-ylphenyl)acetamide
SMILESO=C(Nc1ccc(N2CCCC2)cc1)C(=O)c1c[nH]c2cc(Cl)ccc12
InChIInChI=1S/C20H18ClN3O2/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/h3-8,11-12,22H,1-2,9-10H2,(H,23,26)
InChIKeyFZMYUJLJIVALOL-UHFFFAOYSA-N
MW367.84 g/mol
LogP4.24
Rot. Bonds4

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

2-(6-chloro-1H-indol-3-yl)-2-oxo-N-(4-pyrrolidin-1-ylphenyl)acetamide (PubChem CID 113208869) has the molecular formula C20H18ClN3O2 and a molecular weight of 367.84 g/mol. Its IUPAC name is 2-(6-chloro-1H-indol-3-yl)-2-oxo-N-(4-pyrrolidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(6-chloro-1H-indol-3-yl)-2-oxo-N-(4-pyrrolidin-1-ylphenyl)acetamide
PubChem CID113208869
Molecular FormulaC20H18ClN3O2
Molecular Weight367.84 g/mol
Exact Mass367.11
IUPAC Name2-(6-chloro-1H-indol-3-yl)-2-oxo-N-(4-pyrrolidin-1-ylphenyl)acetamide
SMILESO=C(Nc1ccc(N2CCCC2)cc1)C(=O)c1c[nH]c2cc(Cl)ccc12
InChIInChI=1S/C20H18ClN3O2/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/h3-8,11-12,22H,1-2,9-10H2,(H,23,26)
InChIKeyFZMYUJLJIVALOL-UHFFFAOYSA-N
XLogP4.24
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.84
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

5-chloro-N-(4-pyrrolidin-1-ylphenyl)-1H-indole-3-carboxamide
CID 113205913
2-(6-chloro-1H-indol-3-yl)-2-oxo-N-phenylacetamide
CID 54771139
2-(6-chloro-1H-indol-3-yl)-N-(3-chlorophenyl)-2-oxoacetamide
CID 113208837
6-fluoro-N-(4-piperidin-1-ylphenyl)-1H-indole-3-carboxamide
CID 113206297
N-(3-acetylphenyl)-2-(6-chloro-1H-indol-3-yl)-2-oxoacetamide
CID 113208859
N'-(2,5-dichlorophenyl)-N-(4-pyrrolidin-1-ylphenyl)oxamide
CID 108987617
2-(5-methoxy-1H-indol-3-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxoacetamide
CID 113208505
2-(6-chloro-1H-indol-3-yl)-N-(2,5-dimethylphenyl)-2-oxoacetamide
CID 113208820
2-(5-chloro-1H-indol-3-yl)-N-(4-ethoxyphenyl)-2-oxoacetamide
CID 113208305
N-(4-chloro-2,5-dimethoxyphenyl)-2-(6-chloro-1H-indol-3-yl)-2-oxoacetamide
CID 113208892
N'-(4-fluorophenyl)-N-(4-pyrrolidin-1-ylphenyl)oxamide
CID 108987038
N-[(4-chlorophenyl)methyl]-N'-(4-piperidin-1-ylphenyl)oxamide
CID 108507754

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-1H-indol-3-yl)-2-oxo-N-(4-pyrrolidin-1-ylphenyl)acetamide?
The IUPAC name of 2-(6-chloro-1H-indol-3-yl)-2-oxo-N-(4-pyrrolidin-1-ylphenyl)acetamide (CID 113208869) is 2-(6-chloro-1H-indol-3-yl)-2-oxo-N-(4-pyrrolidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-(6-chloro-1H-indol-3-yl)-2-oxo-N-(4-pyrrolidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-(6-chloro-1H-indol-3-yl)-2-oxo-N-(4-pyrrolidin-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-pyrrolidin-1-ylphenyl)acetamide?
The InChIKey is FZMYUJLJIVALOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O2/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/h3-8,11-12,22H,1-2,9-10H2,(H,23,26).
What are the key properties of 2-(6-chloro-1H-indol-3-yl)-2-oxo-N-(4-pyrrolidin-1-ylphenyl)acetamide?
2-(6-chloro-1H-indol-3-yl)-2-oxo-N-(4-pyrrolidin-1-ylphenyl)acetamide has a molecular weight of 367.84 g/mol, XLogP of 4.24, 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-pyrrolidin-1-ylphenyl)acetamide is sourced from PubChem (CID 113208869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).