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

C23H27ClN2O — CID 10091344

IUPAC2-[2-(4-chlorophenyl)-1-methylindol-3-yl]-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)Cc1c(-c2ccc(Cl)cc2)n(C)c2ccccc12
InChIInChI=1S/C23H27ClN2O/c1-4-14-26(15-5-2)22(27)16-20-19-8-6-7-9-21(19)25(3)23(20)17-10-12-18(24)13-11-17/h6-13H,4-5,14-16H2,1-3H3
InChIKeyWQLGFMXECKHUAW-UHFFFAOYSA-N
MW382.94 g/mol
LogP5.69
Rot. Bonds7

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

2-[2-(4-chlorophenyl)-1-methylindol-3-yl]-N,N-dipropylacetamide (PubChem CID 10091344) has the molecular formula C23H27ClN2O and a molecular weight of 382.94 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)-1-methylindol-3-yl]-N,N-dipropylacetamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)-1-methylindol-3-yl]-N,N-dipropylacetamide
PubChem CID10091344
Molecular FormulaC23H27ClN2O
Molecular Weight382.94 g/mol
Exact Mass382.18
IUPAC Name2-[2-(4-chlorophenyl)-1-methylindol-3-yl]-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)Cc1c(-c2ccc(Cl)cc2)n(C)c2ccccc12
InChIInChI=1S/C23H27ClN2O/c1-4-14-26(15-5-2)22(27)16-20-19-8-6-7-9-21(19)25(3)23(20)17-10-12-18(24)13-11-17/h6-13H,4-5,14-16H2,1-3H3
InChIKeyWQLGFMXECKHUAW-UHFFFAOYSA-N
XLogP5.69
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.94
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)-1-methylindol-3-yl]-N,N-dipropylacetamide?
The IUPAC name of 2-[2-(4-chlorophenyl)-1-methylindol-3-yl]-N,N-dipropylacetamide (CID 10091344) is 2-[2-(4-chlorophenyl)-1-methylindol-3-yl]-N,N-dipropylacetamide.
What is the SMILES notation for 2-[2-(4-chlorophenyl)-1-methylindol-3-yl]-N,N-dipropylacetamide?
The canonical SMILES for 2-[2-(4-chlorophenyl)-1-methylindol-3-yl]-N,N-dipropylacetamide is CCCN(CCC)C(=O)Cc1c(-c2ccc(Cl)cc2)n(C)c2ccccc12.
What is the InChIKey of 2-[2-(4-chlorophenyl)-1-methylindol-3-yl]-N,N-dipropylacetamide?
The InChIKey is WQLGFMXECKHUAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN2O/c1-4-14-26(15-5-2)22(27)16-20-19-8-6-7-9-21(19)25(3)23(20)17-10-12-18(24)13-11-17/h6-13H,4-5,14-16H2,1-3H3.
What are the key properties of 2-[2-(4-chlorophenyl)-1-methylindol-3-yl]-N,N-dipropylacetamide?
2-[2-(4-chlorophenyl)-1-methylindol-3-yl]-N,N-dipropylacetamide has a molecular weight of 382.94 g/mol, XLogP of 5.69, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)-1-methylindol-3-yl]-N,N-dipropylacetamide is sourced from PubChem (CID 10091344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).