methyl 3-[(6-fluoro-3-methyl-2-oxo-1H-indol-3-yl)methyl]benzoate

C18H16FNO3 — CID 126474835

IUPACmethyl 3-[(6-fluoro-3-methyl-2-oxo-1H-indol-3-yl)methyl]benzoate
SMILESCOC(=O)c1cccc(CC2(C)C(=O)Nc3cc(F)ccc32)c1
InChIInChI=1S/C18H16FNO3/c1-18(10-11-4-3-5-12(8-11)16(21)23-2)14-7-6-13(19)9-15(14)20-17(18)22/h3-9H,10H2,1-2H3,(H,20,22)
InChIKeyMVMINYPIMTUOGQ-UHFFFAOYSA-N
MW313.33 g/mol
LogP3.06
Rot. Bonds3

About methyl 3-[(6-fluoro-3-methyl-2-oxo-1H-indol-3-yl)methyl]benzoate

methyl 3-[(6-fluoro-3-methyl-2-oxo-1H-indol-3-yl)methyl]benzoate (PubChem CID 126474835) has the molecular formula C18H16FNO3 and a molecular weight of 313.33 g/mol. Its IUPAC name is methyl 3-[(6-fluoro-3-methyl-2-oxo-1H-indol-3-yl)methyl]benzoate.

Molecular Properties

Compound Namemethyl 3-[(6-fluoro-3-methyl-2-oxo-1H-indol-3-yl)methyl]benzoate
PubChem CID126474835
Molecular FormulaC18H16FNO3
Molecular Weight313.33 g/mol
Exact Mass313.11
IUPAC Namemethyl 3-[(6-fluoro-3-methyl-2-oxo-1H-indol-3-yl)methyl]benzoate
SMILESCOC(=O)c1cccc(CC2(C)C(=O)Nc3cc(F)ccc32)c1
InChIInChI=1S/C18H16FNO3/c1-18(10-11-4-3-5-12(8-11)16(21)23-2)14-7-6-13(19)9-15(14)20-17(18)22/h3-9H,10H2,1-2H3,(H,20,22)
InChIKeyMVMINYPIMTUOGQ-UHFFFAOYSA-N
XLogP3.06
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 903133
Ethyl 3-(3-phenylpropanoylamino)benzoate
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Dimethyl 5-[(3-fluorobenzoyl)amino]isophthalate
CID 875384
Dimethyl 5-[(2-fluorobenzoyl)amino]isophthalate
CID 310566
Ethyl 2-(2-fluorobenzamido)benzoate
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(2-oxo-1H-quinolin-3-yl)methyl 3-methylbenzoate
CID 663555
Methyl 3-(3-phenylpropanoylamino)benzoate
CID 2072960
Methyl 4-[(4-fluorophenyl)carbamoyl]benzoate
CID 7733132
methyl 3-{[(2-tert-butyl-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)carbonyl]amino}benzoate
CID 1359438
Methyl 2-(3-fluorobenzamido)benzoate
CID 310546

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(6-fluoro-3-methyl-2-oxo-1H-indol-3-yl)methyl]benzoate?
The IUPAC name of methyl 3-[(6-fluoro-3-methyl-2-oxo-1H-indol-3-yl)methyl]benzoate (CID 126474835) is methyl 3-[(6-fluoro-3-methyl-2-oxo-1H-indol-3-yl)methyl]benzoate.
What is the SMILES notation for methyl 3-[(6-fluoro-3-methyl-2-oxo-1H-indol-3-yl)methyl]benzoate?
The canonical SMILES for methyl 3-[(6-fluoro-3-methyl-2-oxo-1H-indol-3-yl)methyl]benzoate is COC(=O)c1cccc(CC2(C)C(=O)Nc3cc(F)ccc32)c1.
What is the InChIKey of methyl 3-[(6-fluoro-3-methyl-2-oxo-1H-indol-3-yl)methyl]benzoate?
The InChIKey is MVMINYPIMTUOGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO3/c1-18(10-11-4-3-5-12(8-11)16(21)23-2)14-7-6-13(19)9-15(14)20-17(18)22/h3-9H,10H2,1-2H3,(H,20,22).
What are the key properties of methyl 3-[(6-fluoro-3-methyl-2-oxo-1H-indol-3-yl)methyl]benzoate?
methyl 3-[(6-fluoro-3-methyl-2-oxo-1H-indol-3-yl)methyl]benzoate has a molecular weight of 313.33 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(6-fluoro-3-methyl-2-oxo-1H-indol-3-yl)methyl]benzoate is sourced from PubChem (CID 126474835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).