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

C23H27ClN2O — CID 10249359

IUPAC2-[2-(4-chlorophenyl)-1H-indol-3-yl]-N,N-dipropylpropanamide
SMILESCCCN(CCC)C(=O)C(C)c1c(-c2ccc(Cl)cc2)[nH]c2ccccc12
InChIInChI=1S/C23H27ClN2O/c1-4-14-26(15-5-2)23(27)16(3)21-19-8-6-7-9-20(19)25-22(21)17-10-12-18(24)13-11-17/h6-13,16,25H,4-5,14-15H2,1-3H3
InChIKeyCQTJTDLYQNYNQU-UHFFFAOYSA-N
MW382.94 g/mol
LogP6.24
Rot. Bonds7

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

2-[2-(4-chlorophenyl)-1H-indol-3-yl]-N,N-dipropylpropanamide (PubChem CID 10249359) has the molecular formula C23H27ClN2O and a molecular weight of 382.94 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)-1H-indol-3-yl]-N,N-dipropylpropanamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)-1H-indol-3-yl]-N,N-dipropylpropanamide
PubChem CID10249359
Molecular FormulaC23H27ClN2O
Molecular Weight382.94 g/mol
Exact Mass382.18
IUPAC Name2-[2-(4-chlorophenyl)-1H-indol-3-yl]-N,N-dipropylpropanamide
SMILESCCCN(CCC)C(=O)C(C)c1c(-c2ccc(Cl)cc2)[nH]c2ccccc12
InChIInChI=1S/C23H27ClN2O/c1-4-14-26(15-5-2)23(27)16(3)21-19-8-6-7-9-20(19)25-22(21)17-10-12-18(24)13-11-17/h6-13,16,25H,4-5,14-15H2,1-3H3
InChIKeyCQTJTDLYQNYNQU-UHFFFAOYSA-N
XLogP6.24
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.94
LogP ≤ 56.24
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-dipropylpropanamide?
The IUPAC name of 2-[2-(4-chlorophenyl)-1H-indol-3-yl]-N,N-dipropylpropanamide (CID 10249359) is 2-[2-(4-chlorophenyl)-1H-indol-3-yl]-N,N-dipropylpropanamide.
What is the SMILES notation for 2-[2-(4-chlorophenyl)-1H-indol-3-yl]-N,N-dipropylpropanamide?
The canonical SMILES for 2-[2-(4-chlorophenyl)-1H-indol-3-yl]-N,N-dipropylpropanamide is CCCN(CCC)C(=O)C(C)c1c(-c2ccc(Cl)cc2)[nH]c2ccccc12.
What is the InChIKey of 2-[2-(4-chlorophenyl)-1H-indol-3-yl]-N,N-dipropylpropanamide?
The InChIKey is CQTJTDLYQNYNQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN2O/c1-4-14-26(15-5-2)23(27)16(3)21-19-8-6-7-9-20(19)25-22(21)17-10-12-18(24)13-11-17/h6-13,16,25H,4-5,14-15H2,1-3H3.
What are the key properties of 2-[2-(4-chlorophenyl)-1H-indol-3-yl]-N,N-dipropylpropanamide?
2-[2-(4-chlorophenyl)-1H-indol-3-yl]-N,N-dipropylpropanamide has a molecular weight of 382.94 g/mol, XLogP of 6.24, 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-dipropylpropanamide is sourced from PubChem (CID 10249359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).