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

C22H25ClN2O — CID 10067648

IUPAC2-[2-(4-chlorophenyl)-1H-indol-3-yl]-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)Cc1c(-c2ccc(Cl)cc2)[nH]c2ccccc12
InChIInChI=1S/C22H25ClN2O/c1-3-13-25(14-4-2)21(26)15-19-18-7-5-6-8-20(18)24-22(19)16-9-11-17(23)12-10-16/h5-12,24H,3-4,13-15H2,1-2H3
InChIKeyKXVBQIPWMNRLPC-UHFFFAOYSA-N
MW368.91 g/mol
LogP5.68
Rot. Bonds7

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

2-[2-(4-chlorophenyl)-1H-indol-3-yl]-N,N-dipropylacetamide (PubChem CID 10067648) has the molecular formula C22H25ClN2O and a molecular weight of 368.91 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)-1H-indol-3-yl]-N,N-dipropylacetamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)-1H-indol-3-yl]-N,N-dipropylacetamide
PubChem CID10067648
Molecular FormulaC22H25ClN2O
Molecular Weight368.91 g/mol
Exact Mass368.17
IUPAC Name2-[2-(4-chlorophenyl)-1H-indol-3-yl]-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)Cc1c(-c2ccc(Cl)cc2)[nH]c2ccccc12
InChIInChI=1S/C22H25ClN2O/c1-3-13-25(14-4-2)21(26)15-19-18-7-5-6-8-20(18)24-22(19)16-9-11-17(23)12-10-16/h5-12,24H,3-4,13-15H2,1-2H3
InChIKeyKXVBQIPWMNRLPC-UHFFFAOYSA-N
XLogP5.68
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.91
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)-1H-indol-3-yl]-N,N-dipropylacetamide?
The IUPAC name of 2-[2-(4-chlorophenyl)-1H-indol-3-yl]-N,N-dipropylacetamide (CID 10067648) is 2-[2-(4-chlorophenyl)-1H-indol-3-yl]-N,N-dipropylacetamide.
What is the SMILES notation for 2-[2-(4-chlorophenyl)-1H-indol-3-yl]-N,N-dipropylacetamide?
The canonical SMILES for 2-[2-(4-chlorophenyl)-1H-indol-3-yl]-N,N-dipropylacetamide is CCCN(CCC)C(=O)Cc1c(-c2ccc(Cl)cc2)[nH]c2ccccc12.
What is the InChIKey of 2-[2-(4-chlorophenyl)-1H-indol-3-yl]-N,N-dipropylacetamide?
The InChIKey is KXVBQIPWMNRLPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN2O/c1-3-13-25(14-4-2)21(26)15-19-18-7-5-6-8-20(18)24-22(19)16-9-11-17(23)12-10-16/h5-12,24H,3-4,13-15H2,1-2H3.
What are the key properties of 2-[2-(4-chlorophenyl)-1H-indol-3-yl]-N,N-dipropylacetamide?
2-[2-(4-chlorophenyl)-1H-indol-3-yl]-N,N-dipropylacetamide has a molecular weight of 368.91 g/mol, XLogP of 5.68, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)-1H-indol-3-yl]-N,N-dipropylacetamide is sourced from PubChem (CID 10067648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).