[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] furan-2-carboxylate

C14H12FNO4 — CID 7486717

IUPAC[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] furan-2-carboxylate
SMILESC[C@@H](OC(=O)c1ccco1)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C14H12FNO4/c1-9(20-14(18)12-3-2-8-19-12)13(17)16-11-6-4-10(15)5-7-11/h2-9H,1H3,(H,16,17)/t9-/m1/s1
InChIKeyKHVICVHSXPLUSA-SECBINFHSA-N
MW277.25 g/mol
LogP2.60
Rot. Bonds4

About [(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] furan-2-carboxylate

[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] furan-2-carboxylate (PubChem CID 7486717) has the molecular formula C14H12FNO4 and a molecular weight of 277.25 g/mol. Its IUPAC name is [(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] furan-2-carboxylate.

Molecular Properties

Compound Name[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] furan-2-carboxylate
PubChem CID7486717
Molecular FormulaC14H12FNO4
Molecular Weight277.25 g/mol
Exact Mass277.08
IUPAC Name[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] furan-2-carboxylate
SMILESC[C@@H](OC(=O)c1ccco1)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C14H12FNO4/c1-9(20-14(18)12-3-2-8-19-12)13(17)16-11-6-4-10(15)5-7-11/h2-9H,1H3,(H,16,17)/t9-/m1/s1
InChIKeyKHVICVHSXPLUSA-SECBINFHSA-N
XLogP2.60
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] furan-2-carboxylate
CID 7814374
[(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 4-fluorobenzoate
CID 7478239
[1-(4-fluoroanilino)-1-oxopropan-2-yl] 3-methyl-1,2-oxazole-5-carboxylate
CID 18199682
[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-fluorobenzoate
CID 7508676
[(2R)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] furan-2-carboxylate
CID 2673600
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] 2-phenylacetate
CID 7874804
[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-methylpropanoate
CID 7782483
N-(4-fluorophenyl)furan-2-carboxamide
CID 531893
[(2S)-1-[4-(1,3-benzothiazol-2-ylmethyl)anilino]-1-oxopropan-2-yl] furan-2-carboxylate
CID 7814627
[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 7825289
[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 3-hydroxybenzoate
CID 7483604

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] furan-2-carboxylate?
The IUPAC name of [(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] furan-2-carboxylate (CID 7486717) is [(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] furan-2-carboxylate.
What is the SMILES notation for [(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] furan-2-carboxylate?
The canonical SMILES for [(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] furan-2-carboxylate is C[C@@H](OC(=O)c1ccco1)C(=O)Nc1ccc(F)cc1.
What is the InChIKey of [(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] furan-2-carboxylate?
The InChIKey is KHVICVHSXPLUSA-SECBINFHSA-N. The full InChI is InChI=1S/C14H12FNO4/c1-9(20-14(18)12-3-2-8-19-12)13(17)16-11-6-4-10(15)5-7-11/h2-9H,1H3,(H,16,17)/t9-/m1/s1.
What are the key properties of [(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] furan-2-carboxylate?
[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] furan-2-carboxylate has a molecular weight of 277.25 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 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] furan-2-carboxylate is sourced from PubChem (CID 7486717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).