methyl 5-chloro-1-(4-fluorophenyl)-3-(2-methoxy-2-oxoethoxy)indole-2-carboxylate

C19H15ClFNO5 — CID 10572560

IUPACmethyl 5-chloro-1-(4-fluorophenyl)-3-(2-methoxy-2-oxoethoxy)indole-2-carboxylate
SMILESCOC(=O)COc1c(C(=O)OC)n(-c2ccc(F)cc2)c2ccc(Cl)cc12
InChIInChI=1S/C19H15ClFNO5/c1-25-16(23)10-27-18-14-9-11(20)3-8-15(14)22(17(18)19(24)26-2)13-6-4-12(21)5-7-13/h3-9H,10H2,1-2H3
InChIKeyLHSRAPJXPOTPQV-UHFFFAOYSA-N
MW391.78 g/mol
LogP3.76
Rot. Bonds5

About methyl 5-chloro-1-(4-fluorophenyl)-3-(2-methoxy-2-oxoethoxy)indole-2-carboxylate

methyl 5-chloro-1-(4-fluorophenyl)-3-(2-methoxy-2-oxoethoxy)indole-2-carboxylate (PubChem CID 10572560) has the molecular formula C19H15ClFNO5 and a molecular weight of 391.78 g/mol. Its IUPAC name is methyl 5-chloro-1-(4-fluorophenyl)-3-(2-methoxy-2-oxoethoxy)indole-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-chloro-1-(4-fluorophenyl)-3-(2-methoxy-2-oxoethoxy)indole-2-carboxylate
PubChem CID10572560
Molecular FormulaC19H15ClFNO5
Molecular Weight391.78 g/mol
Exact Mass391.06
IUPAC Namemethyl 5-chloro-1-(4-fluorophenyl)-3-(2-methoxy-2-oxoethoxy)indole-2-carboxylate
SMILESCOC(=O)COc1c(C(=O)OC)n(-c2ccc(F)cc2)c2ccc(Cl)cc12
InChIInChI=1S/C19H15ClFNO5/c1-25-16(23)10-27-18-14-9-11(20)3-8-15(14)22(17(18)19(24)26-2)13-6-4-12(21)5-7-13/h3-9H,10H2,1-2H3
InChIKeyLHSRAPJXPOTPQV-UHFFFAOYSA-N
XLogP3.76
TPSA66.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.78
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 5-chloro-1-(4-fluorophenyl)-3-(2-methoxy-2-oxoethoxy)indole-2-carboxylate?
The IUPAC name of methyl 5-chloro-1-(4-fluorophenyl)-3-(2-methoxy-2-oxoethoxy)indole-2-carboxylate (CID 10572560) is methyl 5-chloro-1-(4-fluorophenyl)-3-(2-methoxy-2-oxoethoxy)indole-2-carboxylate.
What is the SMILES notation for methyl 5-chloro-1-(4-fluorophenyl)-3-(2-methoxy-2-oxoethoxy)indole-2-carboxylate?
The canonical SMILES for methyl 5-chloro-1-(4-fluorophenyl)-3-(2-methoxy-2-oxoethoxy)indole-2-carboxylate is COC(=O)COc1c(C(=O)OC)n(-c2ccc(F)cc2)c2ccc(Cl)cc12.
What is the InChIKey of methyl 5-chloro-1-(4-fluorophenyl)-3-(2-methoxy-2-oxoethoxy)indole-2-carboxylate?
The InChIKey is LHSRAPJXPOTPQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFNO5/c1-25-16(23)10-27-18-14-9-11(20)3-8-15(14)22(17(18)19(24)26-2)13-6-4-12(21)5-7-13/h3-9H,10H2,1-2H3.
What are the key properties of methyl 5-chloro-1-(4-fluorophenyl)-3-(2-methoxy-2-oxoethoxy)indole-2-carboxylate?
methyl 5-chloro-1-(4-fluorophenyl)-3-(2-methoxy-2-oxoethoxy)indole-2-carboxylate has a molecular weight of 391.78 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-chloro-1-(4-fluorophenyl)-3-(2-methoxy-2-oxoethoxy)indole-2-carboxylate is sourced from PubChem (CID 10572560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).