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

C29H23ClFN3O2 — CID 18833233

IUPACN-(5-chloro-2-phenoxyphenyl)-4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butanamide
SMILESO=C(CCCc1c(-c2ccccn2)[nH]c2ccc(F)cc12)Nc1cc(Cl)ccc1Oc1ccccc1
InChIInChI=1S/C29H23ClFN3O2/c30-19-12-15-27(36-21-7-2-1-3-8-21)26(17-19)33-28(35)11-6-9-22-23-18-20(31)13-14-24(23)34-29(22)25-10-4-5-16-32-25/h1-5,7-8,10,12-18,34H,6,9,11H2,(H,33,35)
InChIKeyIAYPYOZIJWEKNZ-UHFFFAOYSA-N
MW499.97 g/mol
LogP7.78
Rot. Bonds8

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

N-(5-chloro-2-phenoxyphenyl)-4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butanamide (PubChem CID 18833233) has the molecular formula C29H23ClFN3O2 and a molecular weight of 499.97 g/mol. Its IUPAC name is N-(5-chloro-2-phenoxyphenyl)-4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butanamide.

Molecular Properties

Compound NameN-(5-chloro-2-phenoxyphenyl)-4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butanamide
PubChem CID18833233
Molecular FormulaC29H23ClFN3O2
Molecular Weight499.97 g/mol
Exact Mass499.15
IUPAC NameN-(5-chloro-2-phenoxyphenyl)-4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butanamide
SMILESO=C(CCCc1c(-c2ccccn2)[nH]c2ccc(F)cc12)Nc1cc(Cl)ccc1Oc1ccccc1
InChIInChI=1S/C29H23ClFN3O2/c30-19-12-15-27(36-21-7-2-1-3-8-21)26(17-19)33-28(35)11-6-9-22-23-18-20(31)13-14-24(23)34-29(22)25-10-4-5-16-32-25/h1-5,7-8,10,12-18,34H,6,9,11H2,(H,33,35)
InChIKeyIAYPYOZIJWEKNZ-UHFFFAOYSA-N
XLogP7.78
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.97
LogP ≤ 57.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-phenoxyphenyl)-4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butanamide?
The IUPAC name of N-(5-chloro-2-phenoxyphenyl)-4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butanamide (CID 18833233) is N-(5-chloro-2-phenoxyphenyl)-4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butanamide.
What is the SMILES notation for N-(5-chloro-2-phenoxyphenyl)-4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butanamide?
The canonical SMILES for N-(5-chloro-2-phenoxyphenyl)-4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butanamide is O=C(CCCc1c(-c2ccccn2)[nH]c2ccc(F)cc12)Nc1cc(Cl)ccc1Oc1ccccc1.
What is the InChIKey of N-(5-chloro-2-phenoxyphenyl)-4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butanamide?
The InChIKey is IAYPYOZIJWEKNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23ClFN3O2/c30-19-12-15-27(36-21-7-2-1-3-8-21)26(17-19)33-28(35)11-6-9-22-23-18-20(31)13-14-24(23)34-29(22)25-10-4-5-16-32-25/h1-5,7-8,10,12-18,34H,6,9,11H2,(H,33,35).
What are the key properties of N-(5-chloro-2-phenoxyphenyl)-4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butanamide?
N-(5-chloro-2-phenoxyphenyl)-4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butanamide has a molecular weight of 499.97 g/mol, XLogP of 7.78, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-phenoxyphenyl)-4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butanamide is sourced from PubChem (CID 18833233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).