2-[5-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]-N-methyl-2-oxo-N-pentylacetamide

C22H22Cl2N2O2 — CID 25108035

IUPAC2-[5-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]-N-methyl-2-oxo-N-pentylacetamide
SMILESCCCCCN(C)C(=O)C(=O)c1c(-c2ccc(Cl)cc2)[nH]c2ccc(Cl)cc12
InChIInChI=1S/C22H22Cl2N2O2/c1-3-4-5-12-26(2)22(28)21(27)19-17-13-16(24)10-11-18(17)25-20(19)14-6-8-15(23)9-7-14/h6-11,13,25H,3-5,12H2,1-2H3
InChIKeyHMGZQGSHXOFHQE-UHFFFAOYSA-N
MW417.34 g/mol
LogP5.97
Rot. Bonds7

About 2-[5-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]-N-methyl-2-oxo-N-pentylacetamide

2-[5-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]-N-methyl-2-oxo-N-pentylacetamide (PubChem CID 25108035) has the molecular formula C22H22Cl2N2O2 and a molecular weight of 417.34 g/mol. Its IUPAC name is 2-[5-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]-N-methyl-2-oxo-N-pentylacetamide.

Molecular Properties

Compound Name2-[5-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]-N-methyl-2-oxo-N-pentylacetamide
PubChem CID25108035
Molecular FormulaC22H22Cl2N2O2
Molecular Weight417.34 g/mol
Exact Mass416.11
IUPAC Name2-[5-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]-N-methyl-2-oxo-N-pentylacetamide
SMILESCCCCCN(C)C(=O)C(=O)c1c(-c2ccc(Cl)cc2)[nH]c2ccc(Cl)cc12
InChIInChI=1S/C22H22Cl2N2O2/c1-3-4-5-12-26(2)22(28)21(27)19-17-13-16(24)10-11-18(17)25-20(19)14-6-8-15(23)9-7-14/h6-11,13,25H,3-5,12H2,1-2H3
InChIKeyHMGZQGSHXOFHQE-UHFFFAOYSA-N
XLogP5.97
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.34
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 2929
Jnj-7777120
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SU-11652
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5-chloro-3-[methyl(phenyl)phosphoryl]-1H-indole-2-carboxamide
CID 15958937
5-chloro-3-[methoxy(phenyl)phosphinothioyl]-1H-indole-2-carboxamide
CID 15958957
5-chloro-3-[(3-isopropylphenyl)-methoxy-phosphoryl]-1H-indole-2-carboxamide
CID 15958990
2-[2-(4-fluorophenyl)-1H-indol-3-yl]-N,N-dihexyl-2-oxoacetamide
CID 11744496

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]-N-methyl-2-oxo-N-pentylacetamide?
The IUPAC name of 2-[5-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]-N-methyl-2-oxo-N-pentylacetamide (CID 25108035) is 2-[5-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]-N-methyl-2-oxo-N-pentylacetamide.
What is the SMILES notation for 2-[5-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]-N-methyl-2-oxo-N-pentylacetamide?
The canonical SMILES for 2-[5-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]-N-methyl-2-oxo-N-pentylacetamide is CCCCCN(C)C(=O)C(=O)c1c(-c2ccc(Cl)cc2)[nH]c2ccc(Cl)cc12.
What is the InChIKey of 2-[5-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]-N-methyl-2-oxo-N-pentylacetamide?
The InChIKey is HMGZQGSHXOFHQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22Cl2N2O2/c1-3-4-5-12-26(2)22(28)21(27)19-17-13-16(24)10-11-18(17)25-20(19)14-6-8-15(23)9-7-14/h6-11,13,25H,3-5,12H2,1-2H3.
What are the key properties of 2-[5-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]-N-methyl-2-oxo-N-pentylacetamide?
2-[5-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]-N-methyl-2-oxo-N-pentylacetamide has a molecular weight of 417.34 g/mol, XLogP of 5.97, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]-N-methyl-2-oxo-N-pentylacetamide is sourced from PubChem (CID 25108035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).