N-[2-(5-chloro-6-fluoro-1H-indol-3-yl)ethyl]-2-(5-ethyl-2-pyridinyl)acetamide

C19H19ClFN3O — CID 126825136

IUPACN-[2-(5-chloro-6-fluoro-1H-indol-3-yl)ethyl]-2-(5-ethyl-2-pyridinyl)acetamide
SMILESCCc1ccc(CC(=O)NCCc2c[nH]c3cc(F)c(Cl)cc23)nc1
InChIInChI=1S/C19H19ClFN3O/c1-2-12-3-4-14(23-10-12)7-19(25)22-6-5-13-11-24-18-9-17(21)16(20)8-15(13)18/h3-4,8-11,24H,2,5-7H2,1H3,(H,22,25)
InChIKeyKCAPXQFDCJOVJU-UHFFFAOYSA-N
MW359.83 g/mol
LogP3.82
Rot. Bonds6

About N-[2-(5-chloro-6-fluoro-1H-indol-3-yl)ethyl]-2-(5-ethyl-2-pyridinyl)acetamide

N-[2-(5-chloro-6-fluoro-1H-indol-3-yl)ethyl]-2-(5-ethyl-2-pyridinyl)acetamide (PubChem CID 126825136) has the molecular formula C19H19ClFN3O and a molecular weight of 359.83 g/mol. Its IUPAC name is N-[2-(5-chloro-6-fluoro-1H-indol-3-yl)ethyl]-2-(5-ethyl-2-pyridinyl)acetamide.

Molecular Properties

Compound NameN-[2-(5-chloro-6-fluoro-1H-indol-3-yl)ethyl]-2-(5-ethyl-2-pyridinyl)acetamide
PubChem CID126825136
Molecular FormulaC19H19ClFN3O
Molecular Weight359.83 g/mol
Exact Mass359.12
IUPAC NameN-[2-(5-chloro-6-fluoro-1H-indol-3-yl)ethyl]-2-(5-ethyl-2-pyridinyl)acetamide
SMILESCCc1ccc(CC(=O)NCCc2c[nH]c3cc(F)c(Cl)cc23)nc1
InChIInChI=1S/C19H19ClFN3O/c1-2-12-3-4-14(23-10-12)7-19(25)22-6-5-13-11-24-18-9-17(21)16(20)8-15(13)18/h3-4,8-11,24H,2,5-7H2,1H3,(H,22,25)
InChIKeyKCAPXQFDCJOVJU-UHFFFAOYSA-N
XLogP3.82
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.83
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-6-fluoro-1H-indol-3-yl)ethyl]-2-(5-ethyl-2-pyridinyl)acetamide?
The IUPAC name of N-[2-(5-chloro-6-fluoro-1H-indol-3-yl)ethyl]-2-(5-ethyl-2-pyridinyl)acetamide (CID 126825136) is N-[2-(5-chloro-6-fluoro-1H-indol-3-yl)ethyl]-2-(5-ethyl-2-pyridinyl)acetamide.
What is the SMILES notation for N-[2-(5-chloro-6-fluoro-1H-indol-3-yl)ethyl]-2-(5-ethyl-2-pyridinyl)acetamide?
The canonical SMILES for N-[2-(5-chloro-6-fluoro-1H-indol-3-yl)ethyl]-2-(5-ethyl-2-pyridinyl)acetamide is CCc1ccc(CC(=O)NCCc2c[nH]c3cc(F)c(Cl)cc23)nc1.
What is the InChIKey of N-[2-(5-chloro-6-fluoro-1H-indol-3-yl)ethyl]-2-(5-ethyl-2-pyridinyl)acetamide?
The InChIKey is KCAPXQFDCJOVJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClFN3O/c1-2-12-3-4-14(23-10-12)7-19(25)22-6-5-13-11-24-18-9-17(21)16(20)8-15(13)18/h3-4,8-11,24H,2,5-7H2,1H3,(H,22,25).
What are the key properties of N-[2-(5-chloro-6-fluoro-1H-indol-3-yl)ethyl]-2-(5-ethyl-2-pyridinyl)acetamide?
N-[2-(5-chloro-6-fluoro-1H-indol-3-yl)ethyl]-2-(5-ethyl-2-pyridinyl)acetamide has a molecular weight of 359.83 g/mol, XLogP of 3.82, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-6-fluoro-1H-indol-3-yl)ethyl]-2-(5-ethyl-2-pyridinyl)acetamide is sourced from PubChem (CID 126825136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).