5-[[2-(4-chlorophenoxy)acetyl]amino]-1-[(2,5-dimethylphenyl)methyl]-N-(2-pyridin-2-ylethyl)indole-2-carboxamide

C33H31ClN4O3 — CID 83276302

IUPAC5-[[2-(4-chlorophenoxy)acetyl]amino]-1-[(2,5-dimethylphenyl)methyl]-N-(2-pyridin-2-ylethyl)indole-2-carboxamide
SMILESCc1ccc(C)c(Cn2c(C(=O)NCCc3ccccn3)cc3cc(NC(=O)COc4ccc(Cl)cc4)ccc32)c1
InChIInChI=1S/C33H31ClN4O3/c1-22-6-7-23(2)25(17-22)20-38-30-13-10-28(37-32(39)21-41-29-11-8-26(34)9-12-29)18-24(30)19-31(38)33(40)36-16-14-27-5-3-4-15-35-27/h3-13,15,17-19H,14,16,20-21H2,1-2H3,(H,36,40)(H,37,39)
InChIKeyLXWLTJVJFSMDOJ-UHFFFAOYSA-N
MW567.09 g/mol
LogP6.34
Rot. Bonds10

About 5-[[2-(4-chlorophenoxy)acetyl]amino]-1-[(2,5-dimethylphenyl)methyl]-N-(2-pyridin-2-ylethyl)indole-2-carboxamide

5-[[2-(4-chlorophenoxy)acetyl]amino]-1-[(2,5-dimethylphenyl)methyl]-N-(2-pyridin-2-ylethyl)indole-2-carboxamide (PubChem CID 83276302) has the molecular formula C33H31ClN4O3 and a molecular weight of 567.09 g/mol. Its IUPAC name is 5-[[2-(4-chlorophenoxy)acetyl]amino]-1-[(2,5-dimethylphenyl)methyl]-N-(2-pyridin-2-ylethyl)indole-2-carboxamide.

Molecular Properties

Compound Name5-[[2-(4-chlorophenoxy)acetyl]amino]-1-[(2,5-dimethylphenyl)methyl]-N-(2-pyridin-2-ylethyl)indole-2-carboxamide
PubChem CID83276302
Molecular FormulaC33H31ClN4O3
Molecular Weight567.09 g/mol
Exact Mass566.21
IUPAC Name5-[[2-(4-chlorophenoxy)acetyl]amino]-1-[(2,5-dimethylphenyl)methyl]-N-(2-pyridin-2-ylethyl)indole-2-carboxamide
SMILESCc1ccc(C)c(Cn2c(C(=O)NCCc3ccccn3)cc3cc(NC(=O)COc4ccc(Cl)cc4)ccc32)c1
InChIInChI=1S/C33H31ClN4O3/c1-22-6-7-23(2)25(17-22)20-38-30-13-10-28(37-32(39)21-41-29-11-8-26(34)9-12-29)18-24(30)19-31(38)33(40)36-16-14-27-5-3-4-15-35-27/h3-13,15,17-19H,14,16,20-21H2,1-2H3,(H,36,40)(H,37,39)
InChIKeyLXWLTJVJFSMDOJ-UHFFFAOYSA-N
XLogP6.34
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.09
LogP ≤ 56.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[[2-(4-chlorophenoxy)acetyl]amino]-1-[(2,5-dimethylphenyl)methyl]-N-(2-pyridin-2-ylethyl)indole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(4-chlorophenoxy)acetyl]amino]-1-[(2,5-dimethylphenyl)methyl]-N-(2-pyridin-2-ylethyl)indole-2-carboxamide?
The IUPAC name of 5-[[2-(4-chlorophenoxy)acetyl]amino]-1-[(2,5-dimethylphenyl)methyl]-N-(2-pyridin-2-ylethyl)indole-2-carboxamide (CID 83276302) is 5-[[2-(4-chlorophenoxy)acetyl]amino]-1-[(2,5-dimethylphenyl)methyl]-N-(2-pyridin-2-ylethyl)indole-2-carboxamide.
What is the SMILES notation for 5-[[2-(4-chlorophenoxy)acetyl]amino]-1-[(2,5-dimethylphenyl)methyl]-N-(2-pyridin-2-ylethyl)indole-2-carboxamide?
The canonical SMILES for 5-[[2-(4-chlorophenoxy)acetyl]amino]-1-[(2,5-dimethylphenyl)methyl]-N-(2-pyridin-2-ylethyl)indole-2-carboxamide is Cc1ccc(C)c(Cn2c(C(=O)NCCc3ccccn3)cc3cc(NC(=O)COc4ccc(Cl)cc4)ccc32)c1.
What is the InChIKey of 5-[[2-(4-chlorophenoxy)acetyl]amino]-1-[(2,5-dimethylphenyl)methyl]-N-(2-pyridin-2-ylethyl)indole-2-carboxamide?
The InChIKey is LXWLTJVJFSMDOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H31ClN4O3/c1-22-6-7-23(2)25(17-22)20-38-30-13-10-28(37-32(39)21-41-29-11-8-26(34)9-12-29)18-24(30)19-31(38)33(40)36-16-14-27-5-3-4-15-35-27/h3-13,15,17-19H,14,16,20-21H2,1-2H3,(H,36,40)(H,37,39).
What are the key properties of 5-[[2-(4-chlorophenoxy)acetyl]amino]-1-[(2,5-dimethylphenyl)methyl]-N-(2-pyridin-2-ylethyl)indole-2-carboxamide?
5-[[2-(4-chlorophenoxy)acetyl]amino]-1-[(2,5-dimethylphenyl)methyl]-N-(2-pyridin-2-ylethyl)indole-2-carboxamide has a molecular weight of 567.09 g/mol, XLogP of 6.34, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(4-chlorophenoxy)acetyl]amino]-1-[(2,5-dimethylphenyl)methyl]-N-(2-pyridin-2-ylethyl)indole-2-carboxamide is sourced from PubChem (CID 83276302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).