methyl 5-[(2-carbamoyl-6-methoxyphenoxy)methyl]-2-fluorobenzoate

C17H16FNO5 — CID 58663013

IUPACmethyl 5-[(2-carbamoyl-6-methoxyphenoxy)methyl]-2-fluorobenzoate
SMILESCOC(=O)c1cc(COc2c(OC)cccc2C(N)=O)ccc1F
InChIInChI=1S/C17H16FNO5/c1-22-14-5-3-4-11(16(19)20)15(14)24-9-10-6-7-13(18)12(8-10)17(21)23-2/h3-8H,9H2,1-2H3,(H2,19,20)
InChIKeyGSCDVQLTELKPHK-UHFFFAOYSA-N
MW333.32 g/mol
LogP2.30
Rot. Bonds6

About methyl 5-[(2-carbamoyl-6-methoxyphenoxy)methyl]-2-fluorobenzoate

methyl 5-[(2-carbamoyl-6-methoxyphenoxy)methyl]-2-fluorobenzoate (PubChem CID 58663013) has the molecular formula C17H16FNO5 and a molecular weight of 333.32 g/mol. Its IUPAC name is methyl 5-[(2-carbamoyl-6-methoxyphenoxy)methyl]-2-fluorobenzoate.

Molecular Properties

Compound Namemethyl 5-[(2-carbamoyl-6-methoxyphenoxy)methyl]-2-fluorobenzoate
PubChem CID58663013
Molecular FormulaC17H16FNO5
Molecular Weight333.32 g/mol
Exact Mass333.10
IUPAC Namemethyl 5-[(2-carbamoyl-6-methoxyphenoxy)methyl]-2-fluorobenzoate
SMILESCOC(=O)c1cc(COc2c(OC)cccc2C(N)=O)ccc1F
InChIInChI=1S/C17H16FNO5/c1-22-14-5-3-4-11(16(19)20)15(14)24-9-10-6-7-13(18)12(8-10)17(21)23-2/h3-8H,9H2,1-2H3,(H2,19,20)
InChIKeyGSCDVQLTELKPHK-UHFFFAOYSA-N
XLogP2.30
TPSA87.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.32
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-bromo-4-fluorophenyl)methoxy]-3-methoxybenzoic acid
CID 61379650
4-[5-[(2-carbamoyl-6-methylphenoxy)methyl]-2-fluorobenzoyl]-N-(2-methoxyphenyl)piperazine-1-carboxamide
CID 11692122
5-[(2,6-difluorophenoxy)methyl]-2-methoxybenzenecarbothioamide
CID 81264859
2-[(4-fluorophenyl)methoxy]-3-methoxybenzoyl chloride
CID 46779695
methyl 2-ethoxy-3-methoxybenzoate
CID 45094190
2,3-dimethoxybenzamide;hydrate
CID 141005510
methyl 2-fluoro-4-[(2-fluorophenoxy)methyl]benzoate
CID 103749344
methyl 2,3-bis[[3,5-bis(methylsulfanyl)phenyl]methoxy]benzoate
CID 141030342
methyl 2-fluoro-5-(2-oxoethyl)benzoate
CID 57443298
methyl 2-fluoro-5-[[2-[(4-fluorophenyl)methoxycarbamoyl]anilino]methyl]benzoate
CID 58990052
methyl 2-[[4-[(2-methoxycarbonylphenoxy)methyl]phenyl]methoxy]benzoate
CID 14323673
2-[[4-(aminomethyl)-3-methoxyphenyl]methoxy]benzamide
CID 106786214

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(2-carbamoyl-6-methoxyphenoxy)methyl]-2-fluorobenzoate?
The IUPAC name of methyl 5-[(2-carbamoyl-6-methoxyphenoxy)methyl]-2-fluorobenzoate (CID 58663013) is methyl 5-[(2-carbamoyl-6-methoxyphenoxy)methyl]-2-fluorobenzoate.
What is the SMILES notation for methyl 5-[(2-carbamoyl-6-methoxyphenoxy)methyl]-2-fluorobenzoate?
The canonical SMILES for methyl 5-[(2-carbamoyl-6-methoxyphenoxy)methyl]-2-fluorobenzoate is COC(=O)c1cc(COc2c(OC)cccc2C(N)=O)ccc1F.
What is the InChIKey of methyl 5-[(2-carbamoyl-6-methoxyphenoxy)methyl]-2-fluorobenzoate?
The InChIKey is GSCDVQLTELKPHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO5/c1-22-14-5-3-4-11(16(19)20)15(14)24-9-10-6-7-13(18)12(8-10)17(21)23-2/h3-8H,9H2,1-2H3,(H2,19,20).
What are the key properties of methyl 5-[(2-carbamoyl-6-methoxyphenoxy)methyl]-2-fluorobenzoate?
methyl 5-[(2-carbamoyl-6-methoxyphenoxy)methyl]-2-fluorobenzoate has a molecular weight of 333.32 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(2-carbamoyl-6-methoxyphenoxy)methyl]-2-fluorobenzoate is sourced from PubChem (CID 58663013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).