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

C18H17FN2O4 — CID 7515010

IUPAC[2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] benzoate
SMILESCN(CC(=O)Nc1ccc(F)cc1)C(=O)COC(=O)c1ccccc1
InChIInChI=1S/C18H17FN2O4/c1-21(11-16(22)20-15-9-7-14(19)8-10-15)17(23)12-25-18(24)13-5-3-2-4-6-13/h2-10H,11-12H2,1H3,(H,20,22)
InChIKeyAGVLQDMYZMLXPA-UHFFFAOYSA-N
MW344.34 g/mol
LogP2.08
Rot. Bonds6

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

[2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] benzoate (PubChem CID 7515010) has the molecular formula C18H17FN2O4 and a molecular weight of 344.34 g/mol. Its IUPAC name is [2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] benzoate.

Molecular Properties

Compound Name[2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] benzoate
PubChem CID7515010
Molecular FormulaC18H17FN2O4
Molecular Weight344.34 g/mol
Exact Mass344.12
IUPAC Name[2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] benzoate
SMILESCN(CC(=O)Nc1ccc(F)cc1)C(=O)COC(=O)c1ccccc1
InChIInChI=1S/C18H17FN2O4/c1-21(11-16(22)20-15-9-7-14(19)8-10-15)17(23)12-25-18(24)13-5-3-2-4-6-13/h2-10H,11-12H2,1H3,(H,20,22)
InChIKeyAGVLQDMYZMLXPA-UHFFFAOYSA-N
XLogP2.08
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.34
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 4-((2-(1-piperidinyl)acetyl)amino)benzoate
CID 3300
N-Acetylprocaine
CID 151400
2-Fluoro-benzoic acid 2-(2,3-dihydro-indol-1-yl)-2-oxo-ethyl ester
CID 1089228
Butyl 4-{[{[2-(dimethylamino)ethyl]amino}(oxo)acetyl]amino}benzoate
CID 1915327
[2-(N-methylanilino)-2-oxoethyl] 4-cyanobenzoate
CID 2336020
2-[Methyl(phenyl)amino]-2-oxoethyl 2-methylbenzoate
CID 2336314
Methyl 4-[[2-[cyclohexyl(ethyl)amino]acetyl]amino]benzoate
CID 2338850
[2-oxo-2-(2-phenylethylamino)ethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 2358098
[2-(Cycloheptylamino)-2-oxoethyl] 4-(dimethylamino)benzoate
CID 2370496
[2-(2-Cyanoanilino)-2-oxoethyl] 2,4-difluorobenzoate
CID 2371113
[2-(4-Morpholin-4-ylanilino)-2-oxoethyl] 4-acetamidobenzoate
CID 2371360
[2-(N-methylanilino)-2-oxoethyl] 3-fluorobenzoate
CID 2380174

Frequently Asked Questions

What is the IUPAC name of [2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] benzoate?
The IUPAC name of [2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] benzoate (CID 7515010) is [2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] benzoate.
What is the SMILES notation for [2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] benzoate?
The canonical SMILES for [2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] benzoate is CN(CC(=O)Nc1ccc(F)cc1)C(=O)COC(=O)c1ccccc1.
What is the InChIKey of [2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] benzoate?
The InChIKey is AGVLQDMYZMLXPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O4/c1-21(11-16(22)20-15-9-7-14(19)8-10-15)17(23)12-25-18(24)13-5-3-2-4-6-13/h2-10H,11-12H2,1H3,(H,20,22).
What are the key properties of [2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] benzoate?
[2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] benzoate has a molecular weight of 344.34 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] benzoate is sourced from PubChem (CID 7515010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).