(3R)-1-benzyl-5-chloro-3-hydroxy-3-[(2R)-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]indol-2-one

C25H20ClNO3 — CID 95731462

IUPAC(3R)-1-benzyl-5-chloro-3-hydroxy-3-[(2R)-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]indol-2-one
SMILESO=C1c2ccccc2CC[C@@H]1[C@]1(O)C(=O)N(Cc2ccccc2)c2ccc(Cl)cc21
InChIInChI=1S/C25H20ClNO3/c26-18-11-13-22-21(14-18)25(30,24(29)27(22)15-16-6-2-1-3-7-16)20-12-10-17-8-4-5-9-19(17)23(20)28/h1-9,11,13-14,20,30H,10,12,15H2/t20-,25+/m0/s1
InChIKeyZYAYJMIHRVQVMD-NBGIEHNGSA-N
MW417.89 g/mol
LogP4.52
Rot. Bonds3

About (3R)-1-benzyl-5-chloro-3-hydroxy-3-[(2R)-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]indol-2-one

(3R)-1-benzyl-5-chloro-3-hydroxy-3-[(2R)-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]indol-2-one (PubChem CID 95731462) has the molecular formula C25H20ClNO3 and a molecular weight of 417.89 g/mol. Its IUPAC name is (3R)-1-benzyl-5-chloro-3-hydroxy-3-[(2R)-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]indol-2-one.

Molecular Properties

Compound Name(3R)-1-benzyl-5-chloro-3-hydroxy-3-[(2R)-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]indol-2-one
PubChem CID95731462
Molecular FormulaC25H20ClNO3
Molecular Weight417.89 g/mol
Exact Mass417.11
IUPAC Name(3R)-1-benzyl-5-chloro-3-hydroxy-3-[(2R)-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]indol-2-one
SMILESO=C1c2ccccc2CC[C@@H]1[C@]1(O)C(=O)N(Cc2ccccc2)c2ccc(Cl)cc21
InChIInChI=1S/C25H20ClNO3/c26-18-11-13-22-21(14-18)25(30,24(29)27(22)15-16-6-2-1-3-7-16)20-12-10-17-8-4-5-9-19(17)23(20)28/h1-9,11,13-14,20,30H,10,12,15H2/t20-,25+/m0/s1
InChIKeyZYAYJMIHRVQVMD-NBGIEHNGSA-N
XLogP4.52
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.89
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R)-1-benzyl-5-chloro-3-hydroxy-3-[(2R)-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]indol-2-one with MolForge

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Launch Full Analysis

Related Compounds

1-benzyl-5-chloro-3-hydroxy-3-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)indol-2-one
CID 66522994
(3R)-1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[(2R)-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]indol-2-one
CID 26413998
(3S)-5-bromo-3-hydroxy-3-[(2R)-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]-1-(thiophen-2-ylmethyl)indol-2-one
CID 41281297
1-[(2,4-dimethylphenyl)methyl]-3-hydroxy-3-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)indol-2-one
CID 17077719
3-hydroxy-1-[(4-methylpiperazin-1-yl)methyl]-3-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)indol-2-one
CID 17131208
(3R)-5-bromo-3-hydroxy-1-methyl-3-[(2S)-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]indol-2-one
CID 7394145
(3S)-3-hydroxy-1-(morpholin-4-ium-4-ylmethyl)-3-[(2S)-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]indol-2-one
CID 7288202
(3S)-3-hydroxy-1-methyl-3-[(2S)-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]indol-2-one
CID 723557
CID 162408532
CID 162408532
1-benzyl-6-bromo-3-(4-bromoanilino)-3-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)indol-2-one
CID 135027143
1-benzyl-5-chloro-3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-3-hydroxyindol-2-one
CID 4065671
(3R)-1-benzyl-5-chloro-3-hydroxy-3-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]indol-2-one
CID 40874961

Frequently Asked Questions

What is the IUPAC name of (3R)-1-benzyl-5-chloro-3-hydroxy-3-[(2R)-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]indol-2-one?
The IUPAC name of (3R)-1-benzyl-5-chloro-3-hydroxy-3-[(2R)-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]indol-2-one (CID 95731462) is (3R)-1-benzyl-5-chloro-3-hydroxy-3-[(2R)-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]indol-2-one.
What is the SMILES notation for (3R)-1-benzyl-5-chloro-3-hydroxy-3-[(2R)-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]indol-2-one?
The canonical SMILES for (3R)-1-benzyl-5-chloro-3-hydroxy-3-[(2R)-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]indol-2-one is O=C1c2ccccc2CC[C@@H]1[C@]1(O)C(=O)N(Cc2ccccc2)c2ccc(Cl)cc21.
What is the InChIKey of (3R)-1-benzyl-5-chloro-3-hydroxy-3-[(2R)-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]indol-2-one?
The InChIKey is ZYAYJMIHRVQVMD-NBGIEHNGSA-N. The full InChI is InChI=1S/C25H20ClNO3/c26-18-11-13-22-21(14-18)25(30,24(29)27(22)15-16-6-2-1-3-7-16)20-12-10-17-8-4-5-9-19(17)23(20)28/h1-9,11,13-14,20,30H,10,12,15H2/t20-,25+/m0/s1.
What are the key properties of (3R)-1-benzyl-5-chloro-3-hydroxy-3-[(2R)-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]indol-2-one?
(3R)-1-benzyl-5-chloro-3-hydroxy-3-[(2R)-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]indol-2-one has a molecular weight of 417.89 g/mol, XLogP of 4.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-benzyl-5-chloro-3-hydroxy-3-[(2R)-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]indol-2-one is sourced from PubChem (CID 95731462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).