(2,4-dichlorophenyl) 4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butanoate

C23H17Cl2FN2O2 — CID 18833255

IUPAC(2,4-dichlorophenyl) 4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butanoate
SMILESO=C(CCCc1c(-c2ccccn2)[nH]c2ccc(F)cc12)Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C23H17Cl2FN2O2/c24-14-7-10-21(18(25)12-14)30-22(29)6-3-4-16-17-13-15(26)8-9-19(17)28-23(16)20-5-1-2-11-27-20/h1-2,5,7-13,28H,3-4,6H2
InChIKeyBVRZXNRGJXNUMM-UHFFFAOYSA-N
MW443.31 g/mol
LogP6.60
Rot. Bonds6

About (2,4-dichlorophenyl) 4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butanoate

(2,4-dichlorophenyl) 4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butanoate (PubChem CID 18833255) has the molecular formula C23H17Cl2FN2O2 and a molecular weight of 443.31 g/mol. Its IUPAC name is (2,4-dichlorophenyl) 4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butanoate.

Molecular Properties

Compound Name(2,4-dichlorophenyl) 4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butanoate
PubChem CID18833255
Molecular FormulaC23H17Cl2FN2O2
Molecular Weight443.31 g/mol
Exact Mass442.07
IUPAC Name(2,4-dichlorophenyl) 4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butanoate
SMILESO=C(CCCc1c(-c2ccccn2)[nH]c2ccc(F)cc12)Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C23H17Cl2FN2O2/c24-14-7-10-21(18(25)12-14)30-22(29)6-3-4-16-17-13-15(26)8-9-19(17)28-23(16)20-5-1-2-11-27-20/h1-2,5,7-13,28H,3-4,6H2
InChIKeyBVRZXNRGJXNUMM-UHFFFAOYSA-N
XLogP6.60
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.31
LogP ≤ 56.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2,4-dichlorophenyl) 4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butanoate 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 (2,4-dichlorophenyl) 4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butanoate?
The IUPAC name of (2,4-dichlorophenyl) 4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butanoate (CID 18833255) is (2,4-dichlorophenyl) 4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butanoate.
What is the SMILES notation for (2,4-dichlorophenyl) 4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butanoate?
The canonical SMILES for (2,4-dichlorophenyl) 4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butanoate is O=C(CCCc1c(-c2ccccn2)[nH]c2ccc(F)cc12)Oc1ccc(Cl)cc1Cl.
What is the InChIKey of (2,4-dichlorophenyl) 4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butanoate?
The InChIKey is BVRZXNRGJXNUMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17Cl2FN2O2/c24-14-7-10-21(18(25)12-14)30-22(29)6-3-4-16-17-13-15(26)8-9-19(17)28-23(16)20-5-1-2-11-27-20/h1-2,5,7-13,28H,3-4,6H2.
What are the key properties of (2,4-dichlorophenyl) 4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butanoate?
(2,4-dichlorophenyl) 4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butanoate has a molecular weight of 443.31 g/mol, XLogP of 6.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichlorophenyl) 4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butanoate is sourced from PubChem (CID 18833255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).