[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 3-(2-methylphenoxy)propanoate

C19H20FNO4 — CID 8579171

IUPAC[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 3-(2-methylphenoxy)propanoate
SMILESCc1ccccc1OCCC(=O)OCC(=O)NCc1ccccc1F
InChIInChI=1S/C19H20FNO4/c1-14-6-2-5-9-17(14)24-11-10-19(23)25-13-18(22)21-12-15-7-3-4-8-16(15)20/h2-9H,10-13H2,1H3,(H,21,22)
InChIKeyFNWUGSDYIIAGHV-UHFFFAOYSA-N
MW345.37 g/mol
LogP2.76
Rot. Bonds8

About [2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 3-(2-methylphenoxy)propanoate

[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 3-(2-methylphenoxy)propanoate (PubChem CID 8579171) has the molecular formula C19H20FNO4 and a molecular weight of 345.37 g/mol. Its IUPAC name is [2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 3-(2-methylphenoxy)propanoate.

Molecular Properties

Compound Name[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 3-(2-methylphenoxy)propanoate
PubChem CID8579171
Molecular FormulaC19H20FNO4
Molecular Weight345.37 g/mol
Exact Mass345.14
IUPAC Name[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 3-(2-methylphenoxy)propanoate
SMILESCc1ccccc1OCCC(=O)OCC(=O)NCc1ccccc1F
InChIInChI=1S/C19H20FNO4/c1-14-6-2-5-9-17(14)24-11-10-19(23)25-13-18(22)21-12-15-7-3-4-8-16(15)20/h2-9H,10-13H2,1H3,(H,21,22)
InChIKeyFNWUGSDYIIAGHV-UHFFFAOYSA-N
XLogP2.76
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 3-(2-methylphenoxy)propanoate
CID 55316485
[2-oxo-2-[(2-phenylacetyl)amino]ethyl] 3-(2-methylphenoxy)propanoate
CID 46789070
(2-anilino-2-oxoethyl) 3-(2-methylphenoxy)propanoate
CID 9115075
2-(2-aminophenoxy)-N-[(2-fluorophenyl)methyl]acetamide
CID 16781117
[2-[2-(2-methoxyphenoxy)ethylamino]-2-oxoethyl] 3-(2-fluorophenyl)propanoate
CID 8647671
[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 3-(4-methoxyphenyl)propanoate
CID 8808388
N-[(2-chlorophenyl)methyl]-3-(2-methylphenoxy)propanamide
CID 7973168
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 3-(2-methylphenoxy)propanoate
CID 9140053
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate
CID 8002848
4-(4-chloro-2-methylphenoxy)-N-[(2-fluorophenyl)methyl]butanamide
CID 4795998
[2-[(2-methylphenyl)methylamino]-2-oxoethyl] 3-(3-bromophenoxy)propanoate
CID 8887137
[2-(3,4-dimethylanilino)-2-oxoethyl] 3-(2-methylphenoxy)propanoate
CID 7841895

Frequently Asked Questions

What is the IUPAC name of [2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 3-(2-methylphenoxy)propanoate?
The IUPAC name of [2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 3-(2-methylphenoxy)propanoate (CID 8579171) is [2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 3-(2-methylphenoxy)propanoate.
What is the SMILES notation for [2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 3-(2-methylphenoxy)propanoate?
The canonical SMILES for [2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 3-(2-methylphenoxy)propanoate is Cc1ccccc1OCCC(=O)OCC(=O)NCc1ccccc1F.
What is the InChIKey of [2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 3-(2-methylphenoxy)propanoate?
The InChIKey is FNWUGSDYIIAGHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO4/c1-14-6-2-5-9-17(14)24-11-10-19(23)25-13-18(22)21-12-15-7-3-4-8-16(15)20/h2-9H,10-13H2,1H3,(H,21,22).
What are the key properties of [2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 3-(2-methylphenoxy)propanoate?
[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 3-(2-methylphenoxy)propanoate has a molecular weight of 345.37 g/mol, XLogP of 2.76, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 3-(2-methylphenoxy)propanoate is sourced from PubChem (CID 8579171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).