[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-ethoxybenzoate

C18H18FNO4 — CID 7951720

IUPAC[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-ethoxybenzoate
SMILESCCOc1ccccc1C(=O)OCC(=O)NCc1ccc(F)cc1
InChIInChI=1S/C18H18FNO4/c1-2-23-16-6-4-3-5-15(16)18(22)24-12-17(21)20-11-13-7-9-14(19)10-8-13/h3-10H,2,11-12H2,1H3,(H,20,21)
InChIKeySZTGLHSGCTXYHL-UHFFFAOYSA-N
MW331.34 g/mol
LogP2.70
Rot. Bonds7

About [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-ethoxybenzoate

[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-ethoxybenzoate (PubChem CID 7951720) has the molecular formula C18H18FNO4 and a molecular weight of 331.34 g/mol. Its IUPAC name is [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-ethoxybenzoate.

Molecular Properties

Compound Name[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-ethoxybenzoate
PubChem CID7951720
Molecular FormulaC18H18FNO4
Molecular Weight331.34 g/mol
Exact Mass331.12
IUPAC Name[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-ethoxybenzoate
SMILESCCOc1ccccc1C(=O)OCC(=O)NCc1ccc(F)cc1
InChIInChI=1S/C18H18FNO4/c1-2-23-16-6-4-3-5-15(16)18(22)24-12-17(21)20-11-13-7-9-14(19)10-8-13/h3-10H,2,11-12H2,1H3,(H,20,21)
InChIKeySZTGLHSGCTXYHL-UHFFFAOYSA-N
XLogP2.70
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-[(3-methylphenyl)methoxy]benzoate
CID 7399136
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(methylamino)benzoate
CID 2542711
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-[(R)-methylsulfinyl]benzoate
CID 11926869
[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl] 2-ethoxybenzoate
CID 7758203
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 3-ethoxy-4-propoxybenzoate
CID 2646544
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate
CID 7602320
N-benzyl-2-[2-[(4-fluorophenyl)methylamino]-2-oxoethoxy]benzamide
CID 7981561
[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] 2-ethoxybenzoate
CID 9197497
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(2-ethylphenoxy)acetate
CID 2608364
[2-(tert-butylamino)-2-oxoethyl] 2-ethoxybenzoate
CID 2404850
1-[2-(2-ethoxyphenyl)ethyl]-3-[(4-fluorophenyl)methyl]urea
CID 3255337
[2-(benzylamino)-2-oxoethyl] 2,4-difluorobenzoate
CID 2338039

Frequently Asked Questions

What is the IUPAC name of [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-ethoxybenzoate?
The IUPAC name of [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-ethoxybenzoate (CID 7951720) is [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-ethoxybenzoate.
What is the SMILES notation for [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-ethoxybenzoate?
The canonical SMILES for [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-ethoxybenzoate is CCOc1ccccc1C(=O)OCC(=O)NCc1ccc(F)cc1.
What is the InChIKey of [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-ethoxybenzoate?
The InChIKey is SZTGLHSGCTXYHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO4/c1-2-23-16-6-4-3-5-15(16)18(22)24-12-17(21)20-11-13-7-9-14(19)10-8-13/h3-10H,2,11-12H2,1H3,(H,20,21).
What are the key properties of [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-ethoxybenzoate?
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-ethoxybenzoate has a molecular weight of 331.34 g/mol, XLogP of 2.70, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-ethoxybenzoate is sourced from PubChem (CID 7951720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).