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

C23H26Cl2N2O — CID 10024964

IUPAC3-[5-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]-N,N-dipropylpropanamide
SMILESCCCN(CCC)C(=O)CCc1c(-c2ccc(Cl)cc2)[nH]c2ccc(Cl)cc12
InChIInChI=1S/C23H26Cl2N2O/c1-3-13-27(14-4-2)22(28)12-10-19-20-15-18(25)9-11-21(20)26-23(19)16-5-7-17(24)8-6-16/h5-9,11,15,26H,3-4,10,12-14H2,1-2H3
InChIKeyCEQBAMJVNWVQBR-UHFFFAOYSA-N
MW417.38 g/mol
LogP6.72
Rot. Bonds8

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

3-[5-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]-N,N-dipropylpropanamide (PubChem CID 10024964) has the molecular formula C23H26Cl2N2O and a molecular weight of 417.38 g/mol. Its IUPAC name is 3-[5-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]-N,N-dipropylpropanamide.

Molecular Properties

Compound Name3-[5-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]-N,N-dipropylpropanamide
PubChem CID10024964
Molecular FormulaC23H26Cl2N2O
Molecular Weight417.38 g/mol
Exact Mass416.14
IUPAC Name3-[5-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]-N,N-dipropylpropanamide
SMILESCCCN(CCC)C(=O)CCc1c(-c2ccc(Cl)cc2)[nH]c2ccc(Cl)cc12
InChIInChI=1S/C23H26Cl2N2O/c1-3-13-27(14-4-2)22(28)12-10-19-20-15-18(25)9-11-21(20)26-23(19)16-5-7-17(24)8-6-16/h5-9,11,15,26H,3-4,10,12-14H2,1-2H3
InChIKeyCEQBAMJVNWVQBR-UHFFFAOYSA-N
XLogP6.72
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.38
LogP ≤ 56.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[5-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]-N,N-dipropylpropanamide?
The IUPAC name of 3-[5-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]-N,N-dipropylpropanamide (CID 10024964) is 3-[5-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]-N,N-dipropylpropanamide.
What is the SMILES notation for 3-[5-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]-N,N-dipropylpropanamide?
The canonical SMILES for 3-[5-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]-N,N-dipropylpropanamide is CCCN(CCC)C(=O)CCc1c(-c2ccc(Cl)cc2)[nH]c2ccc(Cl)cc12.
What is the InChIKey of 3-[5-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]-N,N-dipropylpropanamide?
The InChIKey is CEQBAMJVNWVQBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26Cl2N2O/c1-3-13-27(14-4-2)22(28)12-10-19-20-15-18(25)9-11-21(20)26-23(19)16-5-7-17(24)8-6-16/h5-9,11,15,26H,3-4,10,12-14H2,1-2H3.
What are the key properties of 3-[5-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]-N,N-dipropylpropanamide?
3-[5-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]-N,N-dipropylpropanamide has a molecular weight of 417.38 g/mol, XLogP of 6.72, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]-N,N-dipropylpropanamide is sourced from PubChem (CID 10024964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).