4-(5-chloro-2-pyridin-2-yl-1H-indol-3-yl)-N-(4-iodophenyl)butanamide

C23H19ClIN3O — CID 18832998

IUPAC4-(5-chloro-2-pyridin-2-yl-1H-indol-3-yl)-N-(4-iodophenyl)butanamide
SMILESO=C(CCCc1c(-c2ccccn2)[nH]c2ccc(Cl)cc12)Nc1ccc(I)cc1
InChIInChI=1S/C23H19ClIN3O/c24-15-7-12-20-19(14-15)18(23(28-20)21-5-1-2-13-26-21)4-3-6-22(29)27-17-10-8-16(25)9-11-17/h1-2,5,7-14,28H,3-4,6H2,(H,27,29)
InChIKeyIAWYWILPMRZHLT-UHFFFAOYSA-N
MW515.78 g/mol
LogP6.45
Rot. Bonds6

About 4-(5-chloro-2-pyridin-2-yl-1H-indol-3-yl)-N-(4-iodophenyl)butanamide

4-(5-chloro-2-pyridin-2-yl-1H-indol-3-yl)-N-(4-iodophenyl)butanamide (PubChem CID 18832998) has the molecular formula C23H19ClIN3O and a molecular weight of 515.78 g/mol. Its IUPAC name is 4-(5-chloro-2-pyridin-2-yl-1H-indol-3-yl)-N-(4-iodophenyl)butanamide.

Molecular Properties

Compound Name4-(5-chloro-2-pyridin-2-yl-1H-indol-3-yl)-N-(4-iodophenyl)butanamide
PubChem CID18832998
Molecular FormulaC23H19ClIN3O
Molecular Weight515.78 g/mol
Exact Mass515.03
IUPAC Name4-(5-chloro-2-pyridin-2-yl-1H-indol-3-yl)-N-(4-iodophenyl)butanamide
SMILESO=C(CCCc1c(-c2ccccn2)[nH]c2ccc(Cl)cc12)Nc1ccc(I)cc1
InChIInChI=1S/C23H19ClIN3O/c24-15-7-12-20-19(14-15)18(23(28-20)21-5-1-2-13-26-21)4-3-6-22(29)27-17-10-8-16(25)9-11-17/h1-2,5,7-14,28H,3-4,6H2,(H,27,29)
InChIKeyIAWYWILPMRZHLT-UHFFFAOYSA-N
XLogP6.45
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.78
LogP ≤ 56.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 4-(5-chloro-2-pyridin-2-yl-1H-indol-3-yl)-N-(4-iodophenyl)butanamide 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 4-(5-chloro-2-pyridin-2-yl-1H-indol-3-yl)-N-(4-iodophenyl)butanamide?
The IUPAC name of 4-(5-chloro-2-pyridin-2-yl-1H-indol-3-yl)-N-(4-iodophenyl)butanamide (CID 18832998) is 4-(5-chloro-2-pyridin-2-yl-1H-indol-3-yl)-N-(4-iodophenyl)butanamide.
What is the SMILES notation for 4-(5-chloro-2-pyridin-2-yl-1H-indol-3-yl)-N-(4-iodophenyl)butanamide?
The canonical SMILES for 4-(5-chloro-2-pyridin-2-yl-1H-indol-3-yl)-N-(4-iodophenyl)butanamide is O=C(CCCc1c(-c2ccccn2)[nH]c2ccc(Cl)cc12)Nc1ccc(I)cc1.
What is the InChIKey of 4-(5-chloro-2-pyridin-2-yl-1H-indol-3-yl)-N-(4-iodophenyl)butanamide?
The InChIKey is IAWYWILPMRZHLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClIN3O/c24-15-7-12-20-19(14-15)18(23(28-20)21-5-1-2-13-26-21)4-3-6-22(29)27-17-10-8-16(25)9-11-17/h1-2,5,7-14,28H,3-4,6H2,(H,27,29).
What are the key properties of 4-(5-chloro-2-pyridin-2-yl-1H-indol-3-yl)-N-(4-iodophenyl)butanamide?
4-(5-chloro-2-pyridin-2-yl-1H-indol-3-yl)-N-(4-iodophenyl)butanamide has a molecular weight of 515.78 g/mol, XLogP of 6.45, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-pyridin-2-yl-1H-indol-3-yl)-N-(4-iodophenyl)butanamide is sourced from PubChem (CID 18832998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).