(2S)-2-[(R)-(3-fluoroanilino)-phenylmethyl]-2H-furan-5-one

C17H14FNO2 — CID 44603553

IUPAC(2S)-2-[(R)-(3-fluoroanilino)-phenylmethyl]-2H-furan-5-one
SMILESO=C1C=C[C@@H]([C@H](Nc2cccc(F)c2)c2ccccc2)O1
InChIInChI=1S/C17H14FNO2/c18-13-7-4-8-14(11-13)19-17(12-5-2-1-3-6-12)15-9-10-16(20)21-15/h1-11,15,17,19H/t15-,17+/m0/s1
InChIKeyKICARVXKLBQXEW-DOTOQJQBSA-N
MW283.30 g/mol
LogP3.46
Rot. Bonds4

About (2S)-2-[(R)-(3-fluoroanilino)-phenylmethyl]-2H-furan-5-one

(2S)-2-[(R)-(3-fluoroanilino)-phenylmethyl]-2H-furan-5-one (PubChem CID 44603553) has the molecular formula C17H14FNO2 and a molecular weight of 283.30 g/mol. Its IUPAC name is (2S)-2-[(R)-(3-fluoroanilino)-phenylmethyl]-2H-furan-5-one.

Molecular Properties

Compound Name(2S)-2-[(R)-(3-fluoroanilino)-phenylmethyl]-2H-furan-5-one
PubChem CID44603553
Molecular FormulaC17H14FNO2
Molecular Weight283.30 g/mol
Exact Mass283.10
IUPAC Name(2S)-2-[(R)-(3-fluoroanilino)-phenylmethyl]-2H-furan-5-one
SMILESO=C1C=C[C@@H]([C@H](Nc2cccc(F)c2)c2ccccc2)O1
InChIInChI=1S/C17H14FNO2/c18-13-7-4-8-14(11-13)19-17(12-5-2-1-3-6-12)15-9-10-16(20)21-15/h1-11,15,17,19H/t15-,17+/m0/s1
InChIKeyKICARVXKLBQXEW-DOTOQJQBSA-N
XLogP3.46
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Dimethyl 1-[1-anilino-2-(4-fluorophenyl)ethyl]-7-oxabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate
CID 46835074
(E)-3-(2-fluorophenyl)-N-[4-[(2-methylidene-5-oxofuran-3-yl)methyl]phenyl]prop-2-enamide
CID 137659044
(E)-3-(4-fluorophenyl)-N-[4-[(2-methylidene-5-oxofuran-3-yl)methyl]phenyl]prop-2-enamide
CID 137659087
1-Anilinopropan-2-yl benzoate
CID 10377664
[(2R,3S)-2-[(1S,2S)-2-anilino-1-hydroxy-2-phenylethyl]-6-oxo-2,3-dihydropyran-3-yl] acetate
CID 56677023
(E)-3-(3-fluorophenyl)-N-[4-[(5-oxo-2H-furan-3-yl)methyl]phenyl]prop-2-enamide
CID 137636576
(E)-3-(3-fluorophenyl)-N-[4-[(2-methylidene-5-oxofuran-3-yl)methyl]phenyl]prop-2-enamide
CID 137636620
(E)-3-(2-fluorophenyl)-N-[4-[(5-oxo-2H-furan-3-yl)methyl]phenyl]prop-2-enamide
CID 137639134
(E)-3-(4-fluorophenyl)-N-[4-[(5-oxo-2H-furan-3-yl)methyl]phenyl]prop-2-enamide
CID 137653511
3-anilino-5-phenyldihydro-2(3H)-furanone
CID 409237
Fumaric acid, monoamide, N-(2-fluorophenyl)-, pentafluorobenzyl ester
CID 91727530
(2R)-2-[(S)-(4-fluorophenyl)-(2-hydroxyanilino)methyl]-2H-furan-5-one
CID 135064344

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(R)-(3-fluoroanilino)-phenylmethyl]-2H-furan-5-one?
The IUPAC name of (2S)-2-[(R)-(3-fluoroanilino)-phenylmethyl]-2H-furan-5-one (CID 44603553) is (2S)-2-[(R)-(3-fluoroanilino)-phenylmethyl]-2H-furan-5-one.
What is the SMILES notation for (2S)-2-[(R)-(3-fluoroanilino)-phenylmethyl]-2H-furan-5-one?
The canonical SMILES for (2S)-2-[(R)-(3-fluoroanilino)-phenylmethyl]-2H-furan-5-one is O=C1C=C[C@@H]([C@H](Nc2cccc(F)c2)c2ccccc2)O1.
What is the InChIKey of (2S)-2-[(R)-(3-fluoroanilino)-phenylmethyl]-2H-furan-5-one?
The InChIKey is KICARVXKLBQXEW-DOTOQJQBSA-N. The full InChI is InChI=1S/C17H14FNO2/c18-13-7-4-8-14(11-13)19-17(12-5-2-1-3-6-12)15-9-10-16(20)21-15/h1-11,15,17,19H/t15-,17+/m0/s1.
What are the key properties of (2S)-2-[(R)-(3-fluoroanilino)-phenylmethyl]-2H-furan-5-one?
(2S)-2-[(R)-(3-fluoroanilino)-phenylmethyl]-2H-furan-5-one has a molecular weight of 283.30 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(R)-(3-fluoroanilino)-phenylmethyl]-2H-furan-5-one is sourced from PubChem (CID 44603553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).