[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 3-hydroxybenzoate

C16H14FNO4 — CID 7483604

IUPAC[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 3-hydroxybenzoate
SMILESC[C@@H](OC(=O)c1cccc(O)c1)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C16H14FNO4/c1-10(15(20)18-13-7-5-12(17)6-8-13)22-16(21)11-3-2-4-14(19)9-11/h2-10,19H,1H3,(H,18,20)/t10-/m1/s1
InChIKeyHODKHQPSNLBUIK-SNVBAGLBSA-N
MW303.29 g/mol
LogP2.72
Rot. Bonds4

About [(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 3-hydroxybenzoate

[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 3-hydroxybenzoate (PubChem CID 7483604) has the molecular formula C16H14FNO4 and a molecular weight of 303.29 g/mol. Its IUPAC name is [(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 3-hydroxybenzoate.

Molecular Properties

Compound Name[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 3-hydroxybenzoate
PubChem CID7483604
Molecular FormulaC16H14FNO4
Molecular Weight303.29 g/mol
Exact Mass303.09
IUPAC Name[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 3-hydroxybenzoate
SMILESC[C@@H](OC(=O)c1cccc(O)c1)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C16H14FNO4/c1-10(15(20)18-13-7-5-12(17)6-8-13)22-16(21)11-3-2-4-14(19)9-11/h2-10,19H,1H3,(H,18,20)/t10-/m1/s1
InChIKeyHODKHQPSNLBUIK-SNVBAGLBSA-N
XLogP2.72
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.29
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1-anilino-1-oxopropan-2-yl) 3-hydroxybenzoate
CID 24687453
[(2S)-1-(4-bromoanilino)-1-oxopropan-2-yl] 3-hydroxybenzoate
CID 7890211
[(2S)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl] 3-hydroxybenzoate
CID 41291578
[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 3-(dimethylamino)benzoate
CID 7260963
[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 3-(trifluoromethyl)benzoate
CID 7838868
[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 3-(carbamoylamino)benzoate
CID 8803967
[(2R)-1-anilino-1-oxopropan-2-yl] 3-fluorobenzoate
CID 2523840
[(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 4-fluorobenzoate
CID 7478239
[(2S)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 3-hydroxybenzoate
CID 7378633
[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 3-acetamidobenzoate
CID 7842363
4-O-[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 1-O-methyl benzene-1,4-dicarboxylate
CID 7296570
[(2S)-1-[4-(dimethylamino)anilino]-1-oxopropan-2-yl] 3-fluorobenzoate
CID 2523892

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 3-hydroxybenzoate?
The IUPAC name of [(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 3-hydroxybenzoate (CID 7483604) is [(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 3-hydroxybenzoate.
What is the SMILES notation for [(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 3-hydroxybenzoate?
The canonical SMILES for [(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 3-hydroxybenzoate is C[C@@H](OC(=O)c1cccc(O)c1)C(=O)Nc1ccc(F)cc1.
What is the InChIKey of [(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 3-hydroxybenzoate?
The InChIKey is HODKHQPSNLBUIK-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H14FNO4/c1-10(15(20)18-13-7-5-12(17)6-8-13)22-16(21)11-3-2-4-14(19)9-11/h2-10,19H,1H3,(H,18,20)/t10-/m1/s1.
What are the key properties of [(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 3-hydroxybenzoate?
[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 3-hydroxybenzoate has a molecular weight of 303.29 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 3-hydroxybenzoate is sourced from PubChem (CID 7483604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).