2-[2-(2-chlorophenyl)-1H-indol-3-yl]-N-propan-2-yl-N-(pyridin-4-ylmethyl)acetamide

C25H24ClN3O — CID 10223743

IUPAC2-[2-(2-chlorophenyl)-1H-indol-3-yl]-N-propan-2-yl-N-(pyridin-4-ylmethyl)acetamide
SMILESCC(C)N(Cc1ccncc1)C(=O)Cc1c(-c2ccccc2Cl)[nH]c2ccccc12
InChIInChI=1S/C25H24ClN3O/c1-17(2)29(16-18-11-13-27-14-12-18)24(30)15-21-19-7-4-6-10-23(19)28-25(21)20-8-3-5-9-22(20)26/h3-14,17,28H,15-16H2,1-2H3
InChIKeyPALNUDJZQNISFV-UHFFFAOYSA-N
MW417.94 g/mol
LogP5.86
Rot. Bonds6

About 2-[2-(2-chlorophenyl)-1H-indol-3-yl]-N-propan-2-yl-N-(pyridin-4-ylmethyl)acetamide

2-[2-(2-chlorophenyl)-1H-indol-3-yl]-N-propan-2-yl-N-(pyridin-4-ylmethyl)acetamide (PubChem CID 10223743) has the molecular formula C25H24ClN3O and a molecular weight of 417.94 g/mol. Its IUPAC name is 2-[2-(2-chlorophenyl)-1H-indol-3-yl]-N-propan-2-yl-N-(pyridin-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[2-(2-chlorophenyl)-1H-indol-3-yl]-N-propan-2-yl-N-(pyridin-4-ylmethyl)acetamide
PubChem CID10223743
Molecular FormulaC25H24ClN3O
Molecular Weight417.94 g/mol
Exact Mass417.16
IUPAC Name2-[2-(2-chlorophenyl)-1H-indol-3-yl]-N-propan-2-yl-N-(pyridin-4-ylmethyl)acetamide
SMILESCC(C)N(Cc1ccncc1)C(=O)Cc1c(-c2ccccc2Cl)[nH]c2ccccc12
InChIInChI=1S/C25H24ClN3O/c1-17(2)29(16-18-11-13-27-14-12-18)24(30)15-21-19-7-4-6-10-23(19)28-25(21)20-8-3-5-9-22(20)26/h3-14,17,28H,15-16H2,1-2H3
InChIKeyPALNUDJZQNISFV-UHFFFAOYSA-N
XLogP5.86
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.94
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chlorophenyl)-1H-indol-3-yl]-N-propan-2-yl-N-(pyridin-4-ylmethyl)acetamide?
The IUPAC name of 2-[2-(2-chlorophenyl)-1H-indol-3-yl]-N-propan-2-yl-N-(pyridin-4-ylmethyl)acetamide (CID 10223743) is 2-[2-(2-chlorophenyl)-1H-indol-3-yl]-N-propan-2-yl-N-(pyridin-4-ylmethyl)acetamide.
What is the SMILES notation for 2-[2-(2-chlorophenyl)-1H-indol-3-yl]-N-propan-2-yl-N-(pyridin-4-ylmethyl)acetamide?
The canonical SMILES for 2-[2-(2-chlorophenyl)-1H-indol-3-yl]-N-propan-2-yl-N-(pyridin-4-ylmethyl)acetamide is CC(C)N(Cc1ccncc1)C(=O)Cc1c(-c2ccccc2Cl)[nH]c2ccccc12.
What is the InChIKey of 2-[2-(2-chlorophenyl)-1H-indol-3-yl]-N-propan-2-yl-N-(pyridin-4-ylmethyl)acetamide?
The InChIKey is PALNUDJZQNISFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN3O/c1-17(2)29(16-18-11-13-27-14-12-18)24(30)15-21-19-7-4-6-10-23(19)28-25(21)20-8-3-5-9-22(20)26/h3-14,17,28H,15-16H2,1-2H3.
What are the key properties of 2-[2-(2-chlorophenyl)-1H-indol-3-yl]-N-propan-2-yl-N-(pyridin-4-ylmethyl)acetamide?
2-[2-(2-chlorophenyl)-1H-indol-3-yl]-N-propan-2-yl-N-(pyridin-4-ylmethyl)acetamide has a molecular weight of 417.94 g/mol, XLogP of 5.86, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chlorophenyl)-1H-indol-3-yl]-N-propan-2-yl-N-(pyridin-4-ylmethyl)acetamide is sourced from PubChem (CID 10223743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).