ethyl 1-[(7-fluoronaphthalen-1-yl)methyl]-5-methylindole-2-carboxylate

C23H20FNO2 — CID 68580497

IUPACethyl 1-[(7-fluoronaphthalen-1-yl)methyl]-5-methylindole-2-carboxylate
SMILESCCOC(=O)c1cc2cc(C)ccc2n1Cc1cccc2ccc(F)cc12
InChIInChI=1S/C23H20FNO2/c1-3-27-23(26)22-12-18-11-15(2)7-10-21(18)25(22)14-17-6-4-5-16-8-9-19(24)13-20(16)17/h4-13H,3,14H2,1-2H3
InChIKeyPSXARDYCSRZNSU-UHFFFAOYSA-N
MW361.42 g/mol
LogP5.47
Rot. Bonds4

About ethyl 1-[(7-fluoronaphthalen-1-yl)methyl]-5-methylindole-2-carboxylate

ethyl 1-[(7-fluoronaphthalen-1-yl)methyl]-5-methylindole-2-carboxylate (PubChem CID 68580497) has the molecular formula C23H20FNO2 and a molecular weight of 361.42 g/mol. Its IUPAC name is ethyl 1-[(7-fluoronaphthalen-1-yl)methyl]-5-methylindole-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(7-fluoronaphthalen-1-yl)methyl]-5-methylindole-2-carboxylate
PubChem CID68580497
Molecular FormulaC23H20FNO2
Molecular Weight361.42 g/mol
Exact Mass361.15
IUPAC Nameethyl 1-[(7-fluoronaphthalen-1-yl)methyl]-5-methylindole-2-carboxylate
SMILESCCOC(=O)c1cc2cc(C)ccc2n1Cc1cccc2ccc(F)cc12
InChIInChI=1S/C23H20FNO2/c1-3-27-23(26)22-12-18-11-15(2)7-10-21(18)25(22)14-17-6-4-5-16-8-9-19(24)13-20(16)17/h4-13H,3,14H2,1-2H3
InChIKeyPSXARDYCSRZNSU-UHFFFAOYSA-N
XLogP5.47
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.42
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(7-fluoronaphthalen-1-yl)methyl]-5-methylindole-2-carboxylate?
The IUPAC name of ethyl 1-[(7-fluoronaphthalen-1-yl)methyl]-5-methylindole-2-carboxylate (CID 68580497) is ethyl 1-[(7-fluoronaphthalen-1-yl)methyl]-5-methylindole-2-carboxylate.
What is the SMILES notation for ethyl 1-[(7-fluoronaphthalen-1-yl)methyl]-5-methylindole-2-carboxylate?
The canonical SMILES for ethyl 1-[(7-fluoronaphthalen-1-yl)methyl]-5-methylindole-2-carboxylate is CCOC(=O)c1cc2cc(C)ccc2n1Cc1cccc2ccc(F)cc12.
What is the InChIKey of ethyl 1-[(7-fluoronaphthalen-1-yl)methyl]-5-methylindole-2-carboxylate?
The InChIKey is PSXARDYCSRZNSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FNO2/c1-3-27-23(26)22-12-18-11-15(2)7-10-21(18)25(22)14-17-6-4-5-16-8-9-19(24)13-20(16)17/h4-13H,3,14H2,1-2H3.
What are the key properties of ethyl 1-[(7-fluoronaphthalen-1-yl)methyl]-5-methylindole-2-carboxylate?
ethyl 1-[(7-fluoronaphthalen-1-yl)methyl]-5-methylindole-2-carboxylate has a molecular weight of 361.42 g/mol, XLogP of 5.47, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(7-fluoronaphthalen-1-yl)methyl]-5-methylindole-2-carboxylate is sourced from PubChem (CID 68580497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).