methyl 3-[[2-(2-fluorophenyl)-5-methoxyindol-1-yl]methyl]benzoate

C24H20FNO3 — CID 67685235

IUPACmethyl 3-[[2-(2-fluorophenyl)-5-methoxyindol-1-yl]methyl]benzoate
SMILESCOC(=O)c1cccc(Cn2c(-c3ccccc3F)cc3cc(OC)ccc32)c1
InChIInChI=1S/C24H20FNO3/c1-28-19-10-11-22-18(13-19)14-23(20-8-3-4-9-21(20)25)26(22)15-16-6-5-7-17(12-16)24(27)29-2/h3-14H,15H2,1-2H3
InChIKeyZRDSKYUWGVQCLH-UHFFFAOYSA-N
MW389.43 g/mol
LogP5.29
Rot. Bonds5

About methyl 3-[[2-(2-fluorophenyl)-5-methoxyindol-1-yl]methyl]benzoate

methyl 3-[[2-(2-fluorophenyl)-5-methoxyindol-1-yl]methyl]benzoate (PubChem CID 67685235) has the molecular formula C24H20FNO3 and a molecular weight of 389.43 g/mol. Its IUPAC name is methyl 3-[[2-(2-fluorophenyl)-5-methoxyindol-1-yl]methyl]benzoate.

Molecular Properties

Compound Namemethyl 3-[[2-(2-fluorophenyl)-5-methoxyindol-1-yl]methyl]benzoate
PubChem CID67685235
Molecular FormulaC24H20FNO3
Molecular Weight389.43 g/mol
Exact Mass389.14
IUPAC Namemethyl 3-[[2-(2-fluorophenyl)-5-methoxyindol-1-yl]methyl]benzoate
SMILESCOC(=O)c1cccc(Cn2c(-c3ccccc3F)cc3cc(OC)ccc32)c1
InChIInChI=1S/C24H20FNO3/c1-28-19-10-11-22-18(13-19)14-23(20-8-3-4-9-21(20)25)26(22)15-16-6-5-7-17(12-16)24(27)29-2/h3-14H,15H2,1-2H3
InChIKeyZRDSKYUWGVQCLH-UHFFFAOYSA-N
XLogP5.29
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.43
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[[5-methoxy-2-(3-methoxyphenyl)indol-1-yl]methyl]benzoate
CID 67685081
methyl 3-[(5-methoxy-2-propan-2-ylindol-1-yl)methyl]benzoate
CID 67684489
5-[[2-(2-fluorophenyl)-5-methoxyindol-1-yl]methyl]furan-2-carboxylic acid
CID 67685145
methyl 3-[(5-chloro-2-phenylindol-1-yl)methyl]benzoate
CID 67684782
3-[[2-(furan-2-yl)-5-methoxyindol-1-yl]methyl]benzoic acid
CID 67684562
methyl 6-[[5-methoxy-2-(2-methylphenyl)indol-1-yl]methyl]pyridine-2-carboxylate
CID 67685173
3-[[2-phenyl-5-(trifluoromethoxy)indol-1-yl]methyl]benzoic acid
CID 67684519
5-methoxy-1-[[3-(trifluoromethyl)phenyl]methyl]indole-2-carboxylate
CID 154079979
1-benzyl-2-(furan-3-yl)-5-methoxyindole
CID 141287669
methyl 3-[[3-(naphthalen-1-ylmethyl)-2-oxobenzimidazol-1-yl]methyl]benzoate
CID 59497289
ethyl 5-methoxy-1-[[3-(trifluoromethyl)phenyl]methyl]indole-2-carboxylate
CID 68699963
methyl 6-[[2-(3-chlorophenyl)-5-methoxyindol-1-yl]methyl]pyridine-2-carboxylate
CID 67684990

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(2-fluorophenyl)-5-methoxyindol-1-yl]methyl]benzoate?
The IUPAC name of methyl 3-[[2-(2-fluorophenyl)-5-methoxyindol-1-yl]methyl]benzoate (CID 67685235) is methyl 3-[[2-(2-fluorophenyl)-5-methoxyindol-1-yl]methyl]benzoate.
What is the SMILES notation for methyl 3-[[2-(2-fluorophenyl)-5-methoxyindol-1-yl]methyl]benzoate?
The canonical SMILES for methyl 3-[[2-(2-fluorophenyl)-5-methoxyindol-1-yl]methyl]benzoate is COC(=O)c1cccc(Cn2c(-c3ccccc3F)cc3cc(OC)ccc32)c1.
What is the InChIKey of methyl 3-[[2-(2-fluorophenyl)-5-methoxyindol-1-yl]methyl]benzoate?
The InChIKey is ZRDSKYUWGVQCLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FNO3/c1-28-19-10-11-22-18(13-19)14-23(20-8-3-4-9-21(20)25)26(22)15-16-6-5-7-17(12-16)24(27)29-2/h3-14H,15H2,1-2H3.
What are the key properties of methyl 3-[[2-(2-fluorophenyl)-5-methoxyindol-1-yl]methyl]benzoate?
methyl 3-[[2-(2-fluorophenyl)-5-methoxyindol-1-yl]methyl]benzoate has a molecular weight of 389.43 g/mol, XLogP of 5.29, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(2-fluorophenyl)-5-methoxyindol-1-yl]methyl]benzoate is sourced from PubChem (CID 67685235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).