ethyl 4-[3-(2-fluorobenzoyl)indol-1-yl]benzoate

C24H18FNO3 — CID 118142028

IUPACethyl 4-[3-(2-fluorobenzoyl)indol-1-yl]benzoate
SMILESCCOC(=O)c1ccc(-n2cc(C(=O)c3ccccc3F)c3ccccc32)cc1
InChIInChI=1S/C24H18FNO3/c1-2-29-24(28)16-11-13-17(14-12-16)26-15-20(18-7-4-6-10-22(18)26)23(27)19-8-3-5-9-21(19)25/h3-15H,2H2,1H3
InChIKeyAOHXWXNZSHADBO-UHFFFAOYSA-N
MW387.41 g/mol
LogP5.18
Rot. Bonds5

About ethyl 4-[3-(2-fluorobenzoyl)indol-1-yl]benzoate

ethyl 4-[3-(2-fluorobenzoyl)indol-1-yl]benzoate (PubChem CID 118142028) has the molecular formula C24H18FNO3 and a molecular weight of 387.41 g/mol. Its IUPAC name is ethyl 4-[3-(2-fluorobenzoyl)indol-1-yl]benzoate.

Molecular Properties

Compound Nameethyl 4-[3-(2-fluorobenzoyl)indol-1-yl]benzoate
PubChem CID118142028
Molecular FormulaC24H18FNO3
Molecular Weight387.41 g/mol
Exact Mass387.13
IUPAC Nameethyl 4-[3-(2-fluorobenzoyl)indol-1-yl]benzoate
SMILESCCOC(=O)c1ccc(-n2cc(C(=O)c3ccccc3F)c3ccccc32)cc1
InChIInChI=1S/C24H18FNO3/c1-2-29-24(28)16-11-13-17(14-12-16)26-15-20(18-7-4-6-10-22(18)26)23(27)19-8-3-5-9-21(19)25/h3-15H,2H2,1H3
InChIKeyAOHXWXNZSHADBO-UHFFFAOYSA-N
XLogP5.18
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.41
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[3-(2-fluorobenzoyl)indol-1-yl]benzoate?
The IUPAC name of ethyl 4-[3-(2-fluorobenzoyl)indol-1-yl]benzoate (CID 118142028) is ethyl 4-[3-(2-fluorobenzoyl)indol-1-yl]benzoate.
What is the SMILES notation for ethyl 4-[3-(2-fluorobenzoyl)indol-1-yl]benzoate?
The canonical SMILES for ethyl 4-[3-(2-fluorobenzoyl)indol-1-yl]benzoate is CCOC(=O)c1ccc(-n2cc(C(=O)c3ccccc3F)c3ccccc32)cc1.
What is the InChIKey of ethyl 4-[3-(2-fluorobenzoyl)indol-1-yl]benzoate?
The InChIKey is AOHXWXNZSHADBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FNO3/c1-2-29-24(28)16-11-13-17(14-12-16)26-15-20(18-7-4-6-10-22(18)26)23(27)19-8-3-5-9-21(19)25/h3-15H,2H2,1H3.
What are the key properties of ethyl 4-[3-(2-fluorobenzoyl)indol-1-yl]benzoate?
ethyl 4-[3-(2-fluorobenzoyl)indol-1-yl]benzoate has a molecular weight of 387.41 g/mol, XLogP of 5.18, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[3-(2-fluorobenzoyl)indol-1-yl]benzoate is sourced from PubChem (CID 118142028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).