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

C17H15NO3 — CID 100993377

IUPAC(2R)-2-[(S)-(2-hydroxyanilino)-phenylmethyl]-2H-furan-5-one
SMILESO=C1C=C[C@H]([C@@H](Nc2ccccc2O)c2ccccc2)O1
InChIInChI=1S/C17H15NO3/c19-14-9-5-4-8-13(14)18-17(12-6-2-1-3-7-12)15-10-11-16(20)21-15/h1-11,15,17-19H/t15-,17+/m1/s1
InChIKeyKFIPHMYALMIDNG-WBVHZDCISA-N
MW281.31 g/mol
LogP3.03
Rot. Bonds4

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

(2R)-2-[(S)-(2-hydroxyanilino)-phenylmethyl]-2H-furan-5-one (PubChem CID 100993377) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is (2R)-2-[(S)-(2-hydroxyanilino)-phenylmethyl]-2H-furan-5-one.

Molecular Properties

Compound Name(2R)-2-[(S)-(2-hydroxyanilino)-phenylmethyl]-2H-furan-5-one
PubChem CID100993377
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Name(2R)-2-[(S)-(2-hydroxyanilino)-phenylmethyl]-2H-furan-5-one
SMILESO=C1C=C[C@H]([C@@H](Nc2ccccc2O)c2ccccc2)O1
InChIInChI=1S/C17H15NO3/c19-14-9-5-4-8-13(14)18-17(12-6-2-1-3-7-12)15-10-11-16(20)21-15/h1-11,15,17-19H/t15-,17+/m1/s1
InChIKeyKFIPHMYALMIDNG-WBVHZDCISA-N
XLogP3.03
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

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CID 24804878
(R,R)-formoterol fumarate
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Arformoterol fumarate
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Formoterol hemifumarate hydrate
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propan-2-yl (3Z)-4-[(2-hydroxyphenyl)amino]-2-oxo-4-phenylbut-3-enoate
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(E)-But-2-enedioic acid;N-[2-hydroxy-5-[1-hydroxy-2-[1-(4-methoxyphenyl)propan-2-ylamino]ethyl]phenyl]formamide
CID 9912089
methyl (E)-3-[4-[(2-hydroxyphenyl)methylamino]phenyl]prop-2-enoate
CID 127050419
benzyl N-(2-hydroxyphenyl)carbamate
CID 19878631
4-(2-hydroxyethylamino)-N-(2-hydroxyphenyl)-2-oxo-6-phenylpyran-3-carboxamide
CID 117828925
(E)-but-2-enedioate;N-[2-hydroxy-5-[1-hydroxy-2-[1-(4-methoxyphenyl)propan-2-ylamino]ethyl]phenyl]formamide;hydrate
CID 45479745
Dibenz(b,e)(1,4)oxazepine, 5,11-dihydro-5-(2-(dimethylamino)ethyl)-, maleate
CID 6433739
Foradil acrolizer
CID 6437070

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(S)-(2-hydroxyanilino)-phenylmethyl]-2H-furan-5-one?
The IUPAC name of (2R)-2-[(S)-(2-hydroxyanilino)-phenylmethyl]-2H-furan-5-one (CID 100993377) is (2R)-2-[(S)-(2-hydroxyanilino)-phenylmethyl]-2H-furan-5-one.
What is the SMILES notation for (2R)-2-[(S)-(2-hydroxyanilino)-phenylmethyl]-2H-furan-5-one?
The canonical SMILES for (2R)-2-[(S)-(2-hydroxyanilino)-phenylmethyl]-2H-furan-5-one is O=C1C=C[C@H]([C@@H](Nc2ccccc2O)c2ccccc2)O1.
What is the InChIKey of (2R)-2-[(S)-(2-hydroxyanilino)-phenylmethyl]-2H-furan-5-one?
The InChIKey is KFIPHMYALMIDNG-WBVHZDCISA-N. The full InChI is InChI=1S/C17H15NO3/c19-14-9-5-4-8-13(14)18-17(12-6-2-1-3-7-12)15-10-11-16(20)21-15/h1-11,15,17-19H/t15-,17+/m1/s1.
What are the key properties of (2R)-2-[(S)-(2-hydroxyanilino)-phenylmethyl]-2H-furan-5-one?
(2R)-2-[(S)-(2-hydroxyanilino)-phenylmethyl]-2H-furan-5-one has a molecular weight of 281.31 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(S)-(2-hydroxyanilino)-phenylmethyl]-2H-furan-5-one is sourced from PubChem (CID 100993377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).