2-[5-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]-N,N-dipropylacetamide

C22H24Cl2N2O — CID 10453776

IUPAC2-[5-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)Cc1c(-c2ccc(Cl)cc2)[nH]c2ccc(Cl)cc12
InChIInChI=1S/C22H24Cl2N2O/c1-3-11-26(12-4-2)21(27)14-19-18-13-17(24)9-10-20(18)25-22(19)15-5-7-16(23)8-6-15/h5-10,13,25H,3-4,11-12,14H2,1-2H3
InChIKeyRBSLTMXDXGLXQQ-UHFFFAOYSA-N
MW403.35 g/mol
LogP6.33
Rot. Bonds7

About 2-[5-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]-N,N-dipropylacetamide

2-[5-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]-N,N-dipropylacetamide (PubChem CID 10453776) has the molecular formula C22H24Cl2N2O and a molecular weight of 403.35 g/mol. Its IUPAC name is 2-[5-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]-N,N-dipropylacetamide.

Molecular Properties

Compound Name2-[5-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]-N,N-dipropylacetamide
PubChem CID10453776
Molecular FormulaC22H24Cl2N2O
Molecular Weight403.35 g/mol
Exact Mass402.13
IUPAC Name2-[5-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)Cc1c(-c2ccc(Cl)cc2)[nH]c2ccc(Cl)cc12
InChIInChI=1S/C22H24Cl2N2O/c1-3-11-26(12-4-2)21(27)14-19-18-13-17(24)9-10-20(18)25-22(19)15-5-7-16(23)8-6-15/h5-10,13,25H,3-4,11-12,14H2,1-2H3
InChIKeyRBSLTMXDXGLXQQ-UHFFFAOYSA-N
XLogP6.33
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.35
LogP ≤ 56.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]-N,N-dipropylacetamide?
The IUPAC name of 2-[5-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]-N,N-dipropylacetamide (CID 10453776) is 2-[5-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]-N,N-dipropylacetamide.
What is the SMILES notation for 2-[5-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]-N,N-dipropylacetamide?
The canonical SMILES for 2-[5-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]-N,N-dipropylacetamide is CCCN(CCC)C(=O)Cc1c(-c2ccc(Cl)cc2)[nH]c2ccc(Cl)cc12.
What is the InChIKey of 2-[5-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]-N,N-dipropylacetamide?
The InChIKey is RBSLTMXDXGLXQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24Cl2N2O/c1-3-11-26(12-4-2)21(27)14-19-18-13-17(24)9-10-20(18)25-22(19)15-5-7-16(23)8-6-15/h5-10,13,25H,3-4,11-12,14H2,1-2H3.
What are the key properties of 2-[5-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]-N,N-dipropylacetamide?
2-[5-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]-N,N-dipropylacetamide has a molecular weight of 403.35 g/mol, XLogP of 6.33, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]-N,N-dipropylacetamide is sourced from PubChem (CID 10453776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).