(3R)-5-fluoro-3-hydroxy-1-(naphthalen-1-ylmethyl)-3-[(1R)-1-phenylprop-2-enyl]indol-2-one

C28H22FNO2 — CID 138985077

IUPAC(3R)-5-fluoro-3-hydroxy-1-(naphthalen-1-ylmethyl)-3-[(1R)-1-phenylprop-2-enyl]indol-2-one
SMILESC=C[C@H](c1ccccc1)[C@]1(O)C(=O)N(Cc2cccc3ccccc23)c2ccc(F)cc21
InChIInChI=1S/C28H22FNO2/c1-2-24(20-10-4-3-5-11-20)28(32)25-17-22(29)15-16-26(25)30(27(28)31)18-21-13-8-12-19-9-6-7-14-23(19)21/h2-17,24,32H,1,18H2/t24-,28-/m1/s1
InChIKeyMWTLCVCRVDSMMD-UFHPHHKVSA-N
MW423.49 g/mol
LogP5.68
Rot. Bonds5

About (3R)-5-fluoro-3-hydroxy-1-(naphthalen-1-ylmethyl)-3-[(1R)-1-phenylprop-2-enyl]indol-2-one

(3R)-5-fluoro-3-hydroxy-1-(naphthalen-1-ylmethyl)-3-[(1R)-1-phenylprop-2-enyl]indol-2-one (PubChem CID 138985077) has the molecular formula C28H22FNO2 and a molecular weight of 423.49 g/mol. Its IUPAC name is (3R)-5-fluoro-3-hydroxy-1-(naphthalen-1-ylmethyl)-3-[(1R)-1-phenylprop-2-enyl]indol-2-one.

Molecular Properties

Compound Name(3R)-5-fluoro-3-hydroxy-1-(naphthalen-1-ylmethyl)-3-[(1R)-1-phenylprop-2-enyl]indol-2-one
PubChem CID138985077
Molecular FormulaC28H22FNO2
Molecular Weight423.49 g/mol
Exact Mass423.16
IUPAC Name(3R)-5-fluoro-3-hydroxy-1-(naphthalen-1-ylmethyl)-3-[(1R)-1-phenylprop-2-enyl]indol-2-one
SMILESC=C[C@H](c1ccccc1)[C@]1(O)C(=O)N(Cc2cccc3ccccc23)c2ccc(F)cc21
InChIInChI=1S/C28H22FNO2/c1-2-24(20-10-4-3-5-11-20)28(32)25-17-22(29)15-16-26(25)30(27(28)31)18-21-13-8-12-19-9-6-7-14-23(19)21/h2-17,24,32H,1,18H2/t24-,28-/m1/s1
InChIKeyMWTLCVCRVDSMMD-UFHPHHKVSA-N
XLogP5.68
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.49
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3S)-5-chloro-3-[2-(4-ethylphenyl)-2-oxoethyl]-3-hydroxy-1-(naphthalen-1-ylmethyl)indol-2-one
CID 1216240
3-(1,3-benzodioxol-5-yl)-3-hydroxy-1-(naphthalen-1-ylmethyl)indol-2-one
CID 12004190
3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1-(naphthalen-1-ylmethyl)indol-2-one
CID 2946406
(3S)-5-chloro-3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1-(naphthalen-1-ylmethyl)indol-2-one
CID 29445600
3-hydroxy-3-[2-(2-methyl-5-propan-2-ylphenyl)-2-oxoethyl]-1-(naphthalen-1-ylmethyl)indol-2-one
CID 17077532
(3R)-3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-3-hydroxy-1-(naphthalen-1-ylmethyl)indol-2-one
CID 1287714
(3S)-3-hydroxy-1-(naphthalen-1-ylmethyl)-3-[2-oxo-2-(3-pyrrol-1-ylphenyl)ethyl]indol-2-one
CID 7105832
(3S)-3-hydroxy-1-(naphthalen-1-ylmethyl)-3-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]indol-2-one
CID 41339036
(3S)-3-hydroxy-1-(naphthalen-1-ylmethyl)-3-[2-oxo-2-(2,3,5,6-tetramethylphenyl)ethyl]indol-2-one
CID 40873758
5-chloro-3-hydroxy-1-(naphthalen-1-ylmethyl)-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]indol-2-one
CID 17077683
3-hydroxy-1-(naphthalen-1-ylmethyl)-3-(2-oxo-2-pyridin-3-ylethyl)indol-2-one
CID 2957285
(3R)-1-[(2-chlorophenyl)methyl]-3-hydroxy-3-[(2R)-1-oxo-1-phenylpropan-2-yl]indol-2-one
CID 7281273

Frequently Asked Questions

What is the IUPAC name of (3R)-5-fluoro-3-hydroxy-1-(naphthalen-1-ylmethyl)-3-[(1R)-1-phenylprop-2-enyl]indol-2-one?
The IUPAC name of (3R)-5-fluoro-3-hydroxy-1-(naphthalen-1-ylmethyl)-3-[(1R)-1-phenylprop-2-enyl]indol-2-one (CID 138985077) is (3R)-5-fluoro-3-hydroxy-1-(naphthalen-1-ylmethyl)-3-[(1R)-1-phenylprop-2-enyl]indol-2-one.
What is the SMILES notation for (3R)-5-fluoro-3-hydroxy-1-(naphthalen-1-ylmethyl)-3-[(1R)-1-phenylprop-2-enyl]indol-2-one?
The canonical SMILES for (3R)-5-fluoro-3-hydroxy-1-(naphthalen-1-ylmethyl)-3-[(1R)-1-phenylprop-2-enyl]indol-2-one is C=C[C@H](c1ccccc1)[C@]1(O)C(=O)N(Cc2cccc3ccccc23)c2ccc(F)cc21.
What is the InChIKey of (3R)-5-fluoro-3-hydroxy-1-(naphthalen-1-ylmethyl)-3-[(1R)-1-phenylprop-2-enyl]indol-2-one?
The InChIKey is MWTLCVCRVDSMMD-UFHPHHKVSA-N. The full InChI is InChI=1S/C28H22FNO2/c1-2-24(20-10-4-3-5-11-20)28(32)25-17-22(29)15-16-26(25)30(27(28)31)18-21-13-8-12-19-9-6-7-14-23(19)21/h2-17,24,32H,1,18H2/t24-,28-/m1/s1.
What are the key properties of (3R)-5-fluoro-3-hydroxy-1-(naphthalen-1-ylmethyl)-3-[(1R)-1-phenylprop-2-enyl]indol-2-one?
(3R)-5-fluoro-3-hydroxy-1-(naphthalen-1-ylmethyl)-3-[(1R)-1-phenylprop-2-enyl]indol-2-one has a molecular weight of 423.49 g/mol, XLogP of 5.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-fluoro-3-hydroxy-1-(naphthalen-1-ylmethyl)-3-[(1R)-1-phenylprop-2-enyl]indol-2-one is sourced from PubChem (CID 138985077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).