methyl 4-chloro-5-fluoro-3-morpholin-4-yl-1-phenylindole-2-carboxylate

C20H18ClFN2O3 — CID 155377011

IUPACmethyl 4-chloro-5-fluoro-3-morpholin-4-yl-1-phenylindole-2-carboxylate
SMILESCOC(=O)c1c(N2CCOCC2)c2c(Cl)c(F)ccc2n1-c1ccccc1
InChIInChI=1S/C20H18ClFN2O3/c1-26-20(25)19-18(23-9-11-27-12-10-23)16-15(8-7-14(22)17(16)21)24(19)13-5-3-2-4-6-13/h2-8H,9-12H2,1H3
InChIKeyUWOIMDOYKUTYHV-UHFFFAOYSA-N
MW388.83 g/mol
LogP4.05
Rot. Bonds3

About methyl 4-chloro-5-fluoro-3-morpholin-4-yl-1-phenylindole-2-carboxylate

methyl 4-chloro-5-fluoro-3-morpholin-4-yl-1-phenylindole-2-carboxylate (PubChem CID 155377011) has the molecular formula C20H18ClFN2O3 and a molecular weight of 388.83 g/mol. Its IUPAC name is methyl 4-chloro-5-fluoro-3-morpholin-4-yl-1-phenylindole-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-chloro-5-fluoro-3-morpholin-4-yl-1-phenylindole-2-carboxylate
PubChem CID155377011
Molecular FormulaC20H18ClFN2O3
Molecular Weight388.83 g/mol
Exact Mass388.10
IUPAC Namemethyl 4-chloro-5-fluoro-3-morpholin-4-yl-1-phenylindole-2-carboxylate
SMILESCOC(=O)c1c(N2CCOCC2)c2c(Cl)c(F)ccc2n1-c1ccccc1
InChIInChI=1S/C20H18ClFN2O3/c1-26-20(25)19-18(23-9-11-27-12-10-23)16-15(8-7-14(22)17(16)21)24(19)13-5-3-2-4-6-13/h2-8H,9-12H2,1H3
InChIKeyUWOIMDOYKUTYHV-UHFFFAOYSA-N
XLogP4.05
TPSA43.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.83
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-5-fluoro-3-morpholin-4-yl-1-phenylindole-2-carboxylate?
The IUPAC name of methyl 4-chloro-5-fluoro-3-morpholin-4-yl-1-phenylindole-2-carboxylate (CID 155377011) is methyl 4-chloro-5-fluoro-3-morpholin-4-yl-1-phenylindole-2-carboxylate.
What is the SMILES notation for methyl 4-chloro-5-fluoro-3-morpholin-4-yl-1-phenylindole-2-carboxylate?
The canonical SMILES for methyl 4-chloro-5-fluoro-3-morpholin-4-yl-1-phenylindole-2-carboxylate is COC(=O)c1c(N2CCOCC2)c2c(Cl)c(F)ccc2n1-c1ccccc1.
What is the InChIKey of methyl 4-chloro-5-fluoro-3-morpholin-4-yl-1-phenylindole-2-carboxylate?
The InChIKey is UWOIMDOYKUTYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClFN2O3/c1-26-20(25)19-18(23-9-11-27-12-10-23)16-15(8-7-14(22)17(16)21)24(19)13-5-3-2-4-6-13/h2-8H,9-12H2,1H3.
What are the key properties of methyl 4-chloro-5-fluoro-3-morpholin-4-yl-1-phenylindole-2-carboxylate?
methyl 4-chloro-5-fluoro-3-morpholin-4-yl-1-phenylindole-2-carboxylate has a molecular weight of 388.83 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-5-fluoro-3-morpholin-4-yl-1-phenylindole-2-carboxylate is sourced from PubChem (CID 155377011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).