2-(2-chloro-4-methylphenoxy)-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]acetamide

C21H22ClFN2O2 — CID 25125316

IUPAC2-(2-chloro-4-methylphenoxy)-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]acetamide
SMILESCc1ccc(OCC(=O)NCCc2c(C)[nH]c3c(F)ccc(C)c23)c(Cl)c1
InChIInChI=1S/C21H22ClFN2O2/c1-12-4-7-18(16(22)10-12)27-11-19(26)24-9-8-15-14(3)25-21-17(23)6-5-13(2)20(15)21/h4-7,10,25H,8-9,11H2,1-3H3,(H,24,26)
InChIKeyVSHNJVBNGGHTPU-UHFFFAOYSA-N
MW388.87 g/mol
LogP4.62
Rot. Bonds6

About 2-(2-chloro-4-methylphenoxy)-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]acetamide

2-(2-chloro-4-methylphenoxy)-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]acetamide (PubChem CID 25125316) has the molecular formula C21H22ClFN2O2 and a molecular weight of 388.87 g/mol. Its IUPAC name is 2-(2-chloro-4-methylphenoxy)-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-chloro-4-methylphenoxy)-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]acetamide
PubChem CID25125316
Molecular FormulaC21H22ClFN2O2
Molecular Weight388.87 g/mol
Exact Mass388.14
IUPAC Name2-(2-chloro-4-methylphenoxy)-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]acetamide
SMILESCc1ccc(OCC(=O)NCCc2c(C)[nH]c3c(F)ccc(C)c23)c(Cl)c1
InChIInChI=1S/C21H22ClFN2O2/c1-12-4-7-18(16(22)10-12)27-11-19(26)24-9-8-15-14(3)25-21-17(23)6-5-13(2)20(15)21/h4-7,10,25H,8-9,11H2,1-3H3,(H,24,26)
InChIKeyVSHNJVBNGGHTPU-UHFFFAOYSA-N
XLogP4.62
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.87
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-methylphenoxy)-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]acetamide?
The IUPAC name of 2-(2-chloro-4-methylphenoxy)-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]acetamide (CID 25125316) is 2-(2-chloro-4-methylphenoxy)-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-(2-chloro-4-methylphenoxy)-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]acetamide?
The canonical SMILES for 2-(2-chloro-4-methylphenoxy)-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]acetamide is Cc1ccc(OCC(=O)NCCc2c(C)[nH]c3c(F)ccc(C)c23)c(Cl)c1.
What is the InChIKey of 2-(2-chloro-4-methylphenoxy)-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]acetamide?
The InChIKey is VSHNJVBNGGHTPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClFN2O2/c1-12-4-7-18(16(22)10-12)27-11-19(26)24-9-8-15-14(3)25-21-17(23)6-5-13(2)20(15)21/h4-7,10,25H,8-9,11H2,1-3H3,(H,24,26).
What are the key properties of 2-(2-chloro-4-methylphenoxy)-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]acetamide?
2-(2-chloro-4-methylphenoxy)-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]acetamide has a molecular weight of 388.87 g/mol, XLogP of 4.62, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-methylphenoxy)-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]acetamide is sourced from PubChem (CID 25125316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).