[(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 4-fluorobenzoate

C18H17FN2O4 — CID 7478239

IUPAC[(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 4-fluorobenzoate
SMILESCC(=O)Nc1ccc(NC(=O)[C@H](C)OC(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C18H17FN2O4/c1-11(25-18(24)13-3-5-14(19)6-4-13)17(23)21-16-9-7-15(8-10-16)20-12(2)22/h3-11H,1-2H3,(H,20,22)(H,21,23)/t11-/m0/s1
InChIKeyIGHSXFCIZQGFKR-NSHDSACASA-N
MW344.34 g/mol
LogP2.97
Rot. Bonds5

About [(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 4-fluorobenzoate

[(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 4-fluorobenzoate (PubChem CID 7478239) has the molecular formula C18H17FN2O4 and a molecular weight of 344.34 g/mol. Its IUPAC name is [(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 4-fluorobenzoate.

Molecular Properties

Compound Name[(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 4-fluorobenzoate
PubChem CID7478239
Molecular FormulaC18H17FN2O4
Molecular Weight344.34 g/mol
Exact Mass344.12
IUPAC Name[(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 4-fluorobenzoate
SMILESCC(=O)Nc1ccc(NC(=O)[C@H](C)OC(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C18H17FN2O4/c1-11(25-18(24)13-3-5-14(19)6-4-13)17(23)21-16-9-7-15(8-10-16)20-12(2)22/h3-11H,1-2H3,(H,20,22)(H,21,23)/t11-/m0/s1
InChIKeyIGHSXFCIZQGFKR-NSHDSACASA-N
XLogP2.97
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.34
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 4-fluorobenzoate with MolForge

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Related Compounds

4-O-[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 1-O-methyl benzene-1,4-dicarboxylate
CID 7296570
[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 4-(trifluoromethyl)benzoate
CID 7838434
[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 4-methylsulfonylbenzoate
CID 7744756
[(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 4-propan-2-ylbenzoate
CID 7969054
[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 4-(propan-2-yloxymethyl)benzoate
CID 8985937
[1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl] 4-fluorobenzoate
CID 24686418
[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 4-(trifluoromethyl)benzoate
CID 7838301
[1-(4-tert-butylanilino)-1-oxopropan-2-yl] 4-acetamidobenzoate
CID 16520835
[(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 4-propan-2-yloxybenzoate
CID 7193006
[(2R)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] 4-acetamidobenzoate
CID 7949869
[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 3-hydroxybenzoate
CID 7483604
[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 4-[methoxy(methyl)sulfamoyl]benzoate
CID 8943877

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 4-fluorobenzoate?
The IUPAC name of [(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 4-fluorobenzoate (CID 7478239) is [(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 4-fluorobenzoate.
What is the SMILES notation for [(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 4-fluorobenzoate?
The canonical SMILES for [(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 4-fluorobenzoate is CC(=O)Nc1ccc(NC(=O)[C@H](C)OC(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of [(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 4-fluorobenzoate?
The InChIKey is IGHSXFCIZQGFKR-NSHDSACASA-N. The full InChI is InChI=1S/C18H17FN2O4/c1-11(25-18(24)13-3-5-14(19)6-4-13)17(23)21-16-9-7-15(8-10-16)20-12(2)22/h3-11H,1-2H3,(H,20,22)(H,21,23)/t11-/m0/s1.
What are the key properties of [(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 4-fluorobenzoate?
[(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 4-fluorobenzoate has a molecular weight of 344.34 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 4-fluorobenzoate is sourced from PubChem (CID 7478239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).