methyl 2-[4-[[3-[(3-fluorophenoxy)methyl]phenyl]carbamoyl]-2-methoxyphenoxy]acetate

C24H22FNO6 — CID 55778127

IUPACmethyl 2-[4-[[3-[(3-fluorophenoxy)methyl]phenyl]carbamoyl]-2-methoxyphenoxy]acetate
SMILESCOC(=O)COc1ccc(C(=O)Nc2cccc(COc3cccc(F)c3)c2)cc1OC
InChIInChI=1S/C24H22FNO6/c1-29-22-12-17(9-10-21(22)32-15-23(27)30-2)24(28)26-19-7-3-5-16(11-19)14-31-20-8-4-6-18(25)13-20/h3-13H,14-15H2,1-2H3,(H,26,28)
InChIKeyNZMMIVODHHCUCN-UHFFFAOYSA-N
MW439.44 g/mol
LogP4.22
Rot. Bonds9

About methyl 2-[4-[[3-[(3-fluorophenoxy)methyl]phenyl]carbamoyl]-2-methoxyphenoxy]acetate

methyl 2-[4-[[3-[(3-fluorophenoxy)methyl]phenyl]carbamoyl]-2-methoxyphenoxy]acetate (PubChem CID 55778127) has the molecular formula C24H22FNO6 and a molecular weight of 439.44 g/mol. Its IUPAC name is methyl 2-[4-[[3-[(3-fluorophenoxy)methyl]phenyl]carbamoyl]-2-methoxyphenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[[3-[(3-fluorophenoxy)methyl]phenyl]carbamoyl]-2-methoxyphenoxy]acetate
PubChem CID55778127
Molecular FormulaC24H22FNO6
Molecular Weight439.44 g/mol
Exact Mass439.14
IUPAC Namemethyl 2-[4-[[3-[(3-fluorophenoxy)methyl]phenyl]carbamoyl]-2-methoxyphenoxy]acetate
SMILESCOC(=O)COc1ccc(C(=O)Nc2cccc(COc3cccc(F)c3)c2)cc1OC
InChIInChI=1S/C24H22FNO6/c1-29-22-12-17(9-10-21(22)32-15-23(27)30-2)24(28)26-19-7-3-5-16(11-19)14-31-20-8-4-6-18(25)13-20/h3-13H,14-15H2,1-2H3,(H,26,28)
InChIKeyNZMMIVODHHCUCN-UHFFFAOYSA-N
XLogP4.22
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.44
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[4-[[3-(1,3-benzodioxol-5-yloxymethyl)phenyl]carbamoyl]-2-methoxyphenoxy]acetate
CID 55805067
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(3-fluorophenyl)-3-methoxybenzamide
CID 26086460
N-[3-[(3-fluorophenoxy)methyl]phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 38612951
3-methoxy-N-phenyl-4-phenylmethoxybenzamide
CID 5161412
4-[(4-chlorophenyl)methoxy]-3-methoxy-N-(3-methoxyphenyl)benzamide
CID 4614010
N-[3-[(3-fluorophenoxy)methyl]phenyl]-2-methylsulfanylpyridine-3-carboxamide
CID 38614359
methyl 2-[4-[(4-iodophenyl)carbamoyl]-2-methoxyphenoxy]acetate
CID 55771551
N-(3-fluorophenyl)-3-(methoxymethyl)benzamide
CID 17462584
N-(3-fluoro-4-methoxyphenyl)-3-(pyridin-3-ylmethoxy)benzamide
CID 55796689
N-[3-[(3-fluorophenoxy)methyl]phenyl]-4-(1,3-oxazol-5-yl)benzamide
CID 55836607
N-carbamothioyl-4-[(3-fluorophenyl)methoxy]-3-methoxybenzamide
CID 132591188
N-(3,4-dimethoxyphenyl)-2-(3-fluorophenoxy)acetamide
CID 2711600

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[[3-[(3-fluorophenoxy)methyl]phenyl]carbamoyl]-2-methoxyphenoxy]acetate?
The IUPAC name of methyl 2-[4-[[3-[(3-fluorophenoxy)methyl]phenyl]carbamoyl]-2-methoxyphenoxy]acetate (CID 55778127) is methyl 2-[4-[[3-[(3-fluorophenoxy)methyl]phenyl]carbamoyl]-2-methoxyphenoxy]acetate.
What is the SMILES notation for methyl 2-[4-[[3-[(3-fluorophenoxy)methyl]phenyl]carbamoyl]-2-methoxyphenoxy]acetate?
The canonical SMILES for methyl 2-[4-[[3-[(3-fluorophenoxy)methyl]phenyl]carbamoyl]-2-methoxyphenoxy]acetate is COC(=O)COc1ccc(C(=O)Nc2cccc(COc3cccc(F)c3)c2)cc1OC.
What is the InChIKey of methyl 2-[4-[[3-[(3-fluorophenoxy)methyl]phenyl]carbamoyl]-2-methoxyphenoxy]acetate?
The InChIKey is NZMMIVODHHCUCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FNO6/c1-29-22-12-17(9-10-21(22)32-15-23(27)30-2)24(28)26-19-7-3-5-16(11-19)14-31-20-8-4-6-18(25)13-20/h3-13H,14-15H2,1-2H3,(H,26,28).
What are the key properties of methyl 2-[4-[[3-[(3-fluorophenoxy)methyl]phenyl]carbamoyl]-2-methoxyphenoxy]acetate?
methyl 2-[4-[[3-[(3-fluorophenoxy)methyl]phenyl]carbamoyl]-2-methoxyphenoxy]acetate has a molecular weight of 439.44 g/mol, XLogP of 4.22, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[[3-[(3-fluorophenoxy)methyl]phenyl]carbamoyl]-2-methoxyphenoxy]acetate is sourced from PubChem (CID 55778127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).