ethyl 2-[2-[(2-fluorophenyl)methylcarbamoyl]-4-propoxyphenoxy]acetate

C21H24FNO5 — CID 69454020

IUPACethyl 2-[2-[(2-fluorophenyl)methylcarbamoyl]-4-propoxyphenoxy]acetate
SMILESCCCOc1ccc(OCC(=O)OCC)c(C(=O)NCc2ccccc2F)c1
InChIInChI=1S/C21H24FNO5/c1-3-11-27-16-9-10-19(28-14-20(24)26-4-2)17(12-16)21(25)23-13-15-7-5-6-8-18(15)22/h5-10,12H,3-4,11,13-14H2,1-2H3,(H,23,25)
InChIKeyZLQFPAUWSNJZCN-UHFFFAOYSA-N
MW389.42 g/mol
LogP3.49
Rot. Bonds10

About ethyl 2-[2-[(2-fluorophenyl)methylcarbamoyl]-4-propoxyphenoxy]acetate

ethyl 2-[2-[(2-fluorophenyl)methylcarbamoyl]-4-propoxyphenoxy]acetate (PubChem CID 69454020) has the molecular formula C21H24FNO5 and a molecular weight of 389.42 g/mol. Its IUPAC name is ethyl 2-[2-[(2-fluorophenyl)methylcarbamoyl]-4-propoxyphenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[(2-fluorophenyl)methylcarbamoyl]-4-propoxyphenoxy]acetate
PubChem CID69454020
Molecular FormulaC21H24FNO5
Molecular Weight389.42 g/mol
Exact Mass389.16
IUPAC Nameethyl 2-[2-[(2-fluorophenyl)methylcarbamoyl]-4-propoxyphenoxy]acetate
SMILESCCCOc1ccc(OCC(=O)OCC)c(C(=O)NCc2ccccc2F)c1
InChIInChI=1S/C21H24FNO5/c1-3-11-27-16-9-10-19(28-14-20(24)26-4-2)17(12-16)21(25)23-13-15-7-5-6-8-18(15)22/h5-10,12H,3-4,11,13-14H2,1-2H3,(H,23,25)
InChIKeyZLQFPAUWSNJZCN-UHFFFAOYSA-N
XLogP3.49
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[2-[(4-bromo-2-fluorophenyl)methylcarbamoyl]-5-fluorophenoxy]acetate
CID 69452500
N-[(2-fluorophenyl)methyl]-4-pentoxybenzamide
CID 17068474
N-[(2-fluorophenyl)methyl]-2-hydroxy-5-methoxybenzamide
CID 60630315
ethyl 2-[4-methoxy-3-[[4-(trifluoromethyl)phenyl]methylcarbamoyl]phenoxy]acetate
CID 139985258
ethyl 2-[(2-fluorophenyl)methylcarbamoylamino]acetate
CID 17174428
ethyl 2-[3-[(2-fluorobenzoyl)amino]phenoxy]acetate
CID 39269783
2-[2-(dimethylamino)ethoxy]-N-[(2-fluorophenyl)methyl]benzamide
CID 86991961
2-(4-ethoxyphenyl)-N-[(2-fluorophenyl)methyl]acetamide
CID 17068473
3-bromo-N-[(2-fluorophenyl)methyl]-5-methoxy-4-propoxybenzamide
CID 8869293
ethyl 2-[4-[[(5-chloro-2-methoxybenzoyl)amino]methyl]phenoxy]acetate
CID 154145410
2-fluoro-N-[(2-fluorophenyl)methyl]-5-methylbenzamide
CID 62510380
4-(4-ethoxyanilino)-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide
CID 109211207

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[(2-fluorophenyl)methylcarbamoyl]-4-propoxyphenoxy]acetate?
The IUPAC name of ethyl 2-[2-[(2-fluorophenyl)methylcarbamoyl]-4-propoxyphenoxy]acetate (CID 69454020) is ethyl 2-[2-[(2-fluorophenyl)methylcarbamoyl]-4-propoxyphenoxy]acetate.
What is the SMILES notation for ethyl 2-[2-[(2-fluorophenyl)methylcarbamoyl]-4-propoxyphenoxy]acetate?
The canonical SMILES for ethyl 2-[2-[(2-fluorophenyl)methylcarbamoyl]-4-propoxyphenoxy]acetate is CCCOc1ccc(OCC(=O)OCC)c(C(=O)NCc2ccccc2F)c1.
What is the InChIKey of ethyl 2-[2-[(2-fluorophenyl)methylcarbamoyl]-4-propoxyphenoxy]acetate?
The InChIKey is ZLQFPAUWSNJZCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FNO5/c1-3-11-27-16-9-10-19(28-14-20(24)26-4-2)17(12-16)21(25)23-13-15-7-5-6-8-18(15)22/h5-10,12H,3-4,11,13-14H2,1-2H3,(H,23,25).
What are the key properties of ethyl 2-[2-[(2-fluorophenyl)methylcarbamoyl]-4-propoxyphenoxy]acetate?
ethyl 2-[2-[(2-fluorophenyl)methylcarbamoyl]-4-propoxyphenoxy]acetate has a molecular weight of 389.42 g/mol, XLogP of 3.49, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[(2-fluorophenyl)methylcarbamoyl]-4-propoxyphenoxy]acetate is sourced from PubChem (CID 69454020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).