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

C17H17FN2O3 — CID 2542711

IUPAC[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(methylamino)benzoate
SMILESCNc1ccccc1C(=O)OCC(=O)NCc1ccc(F)cc1
InChIInChI=1S/C17H17FN2O3/c1-19-15-5-3-2-4-14(15)17(22)23-11-16(21)20-10-12-6-8-13(18)9-7-12/h2-9,19H,10-11H2,1H3,(H,20,21)
InChIKeyWBNXPPNERZZFAJ-UHFFFAOYSA-N
MW316.33 g/mol
LogP2.34
Rot. Bonds6

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

[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(methylamino)benzoate (PubChem CID 2542711) has the molecular formula C17H17FN2O3 and a molecular weight of 316.33 g/mol. Its IUPAC name is [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(methylamino)benzoate.

Molecular Properties

Compound Name[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(methylamino)benzoate
PubChem CID2542711
Molecular FormulaC17H17FN2O3
Molecular Weight316.33 g/mol
Exact Mass316.12
IUPAC Name[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(methylamino)benzoate
SMILESCNc1ccccc1C(=O)OCC(=O)NCc1ccc(F)cc1
InChIInChI=1S/C17H17FN2O3/c1-19-15-5-3-2-4-14(15)17(22)23-11-16(21)20-10-12-6-8-13(18)9-7-12/h2-9,19H,10-11H2,1H3,(H,20,21)
InChIKeyWBNXPPNERZZFAJ-UHFFFAOYSA-N
XLogP2.34
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.33
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(methylamino)benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate
CID 7602320
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-ethoxybenzoate
CID 7951720
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-[(R)-methylsulfinyl]benzoate
CID 11926869
[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-(methylamino)benzoate
CID 18080618
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-(methylamino)benzoate
CID 2542769
[2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl] 2-(methylamino)benzoate
CID 9289451
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-[(3-methylphenyl)methoxy]benzoate
CID 7399136
[2-(benzylamino)-2-oxoethyl] 2,4-difluorobenzoate
CID 2338039
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
CID 2584278
[2-oxo-2-(propylamino)ethyl] 2-(4-fluoroanilino)benzoate
CID 2611926
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-chloroquinoline-4-carboxylate
CID 9009259
[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-fluorobenzoate
CID 7863944

Frequently Asked Questions

What is the IUPAC name of [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(methylamino)benzoate?
The IUPAC name of [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(methylamino)benzoate (CID 2542711) is [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(methylamino)benzoate.
What is the SMILES notation for [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(methylamino)benzoate?
The canonical SMILES for [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(methylamino)benzoate is CNc1ccccc1C(=O)OCC(=O)NCc1ccc(F)cc1.
What is the InChIKey of [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(methylamino)benzoate?
The InChIKey is WBNXPPNERZZFAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O3/c1-19-15-5-3-2-4-14(15)17(22)23-11-16(21)20-10-12-6-8-13(18)9-7-12/h2-9,19H,10-11H2,1H3,(H,20,21).
What are the key properties of [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(methylamino)benzoate?
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(methylamino)benzoate has a molecular weight of 316.33 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(methylamino)benzoate is sourced from PubChem (CID 2542711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).