(3R)-1-[(2-chlorophenyl)methyl]-3-hydroxy-3-[(2R)-1-oxo-1-phenylpropan-2-yl]indol-2-one

C24H20ClNO3 — CID 7281273

IUPAC(3R)-1-[(2-chlorophenyl)methyl]-3-hydroxy-3-[(2R)-1-oxo-1-phenylpropan-2-yl]indol-2-one
SMILESC[C@@H](C(=O)c1ccccc1)[C@]1(O)C(=O)N(Cc2ccccc2Cl)c2ccccc21
InChIInChI=1S/C24H20ClNO3/c1-16(22(27)17-9-3-2-4-10-17)24(29)19-12-6-8-14-21(19)26(23(24)28)15-18-11-5-7-13-20(18)25/h2-14,16,29H,15H2,1H3/t16-,24+/m0/s1
InChIKeyWFHDXWIRBHHUKT-UPCLLVRISA-N
MW405.88 g/mol
LogP4.59
Rot. Bonds5

About (3R)-1-[(2-chlorophenyl)methyl]-3-hydroxy-3-[(2R)-1-oxo-1-phenylpropan-2-yl]indol-2-one

(3R)-1-[(2-chlorophenyl)methyl]-3-hydroxy-3-[(2R)-1-oxo-1-phenylpropan-2-yl]indol-2-one (PubChem CID 7281273) has the molecular formula C24H20ClNO3 and a molecular weight of 405.88 g/mol. Its IUPAC name is (3R)-1-[(2-chlorophenyl)methyl]-3-hydroxy-3-[(2R)-1-oxo-1-phenylpropan-2-yl]indol-2-one.

Molecular Properties

Compound Name(3R)-1-[(2-chlorophenyl)methyl]-3-hydroxy-3-[(2R)-1-oxo-1-phenylpropan-2-yl]indol-2-one
PubChem CID7281273
Molecular FormulaC24H20ClNO3
Molecular Weight405.88 g/mol
Exact Mass405.11
IUPAC Name(3R)-1-[(2-chlorophenyl)methyl]-3-hydroxy-3-[(2R)-1-oxo-1-phenylpropan-2-yl]indol-2-one
SMILESC[C@@H](C(=O)c1ccccc1)[C@]1(O)C(=O)N(Cc2ccccc2Cl)c2ccccc21
InChIInChI=1S/C24H20ClNO3/c1-16(22(27)17-9-3-2-4-10-17)24(29)19-12-6-8-14-21(19)26(23(24)28)15-18-11-5-7-13-20(18)25/h2-14,16,29H,15H2,1H3/t16-,24+/m0/s1
InChIKeyWFHDXWIRBHHUKT-UPCLLVRISA-N
XLogP4.59
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.88
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R)-1-[(2-chlorophenyl)methyl]-3-hydroxy-3-[(2R)-1-oxo-1-phenylpropan-2-yl]indol-2-one with MolForge

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Related Compounds

1-benzyl-3-[1-(4-chlorophenyl)-1-oxopropan-2-yl]-3-hydroxyindol-2-one
CID 2976468
(3R)-3-hydroxy-1-[(4-methylphenyl)methyl]-3-[(2S)-1-oxo-1-phenylpropan-2-yl]indol-2-one
CID 7281362
(3S)-3-[(2S)-1-(4-chlorophenyl)-1-oxopropan-2-yl]-1-ethyl-3-hydroxyindol-2-one
CID 7334078
(3S)-1-[(2-chlorophenyl)methyl]-3-hydroxy-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]indol-2-one
CID 41339042
5-bromo-3-hydroxy-1-[(2-methyl-5-propan-2-ylphenyl)methyl]-3-(1-oxo-1-phenylpropan-2-yl)indol-2-one
CID 3611880
(3R)-3-[(2R)-1-(4-chlorophenyl)-1-oxopropan-2-yl]-3-hydroxy-1-(morpholin-4-ylmethyl)indol-2-one
CID 1425681
3-[1-(4-chlorophenyl)-1-oxopropan-2-yl]-3-hydroxy-1-(morpholin-4-ylmethyl)indol-2-one
CID 3841448
(3S)-3-[2-(4-tert-butylphenyl)-2-oxoethyl]-1-[(2-chlorophenyl)methyl]-3-hydroxyindol-2-one
CID 1216234
3'-benzoyl-1-[(2-chlorophenyl)methyl]-4'-(4-fluorophenyl)-1'-methylspiro[indole-3,2'-pyrrolidin-1-ium]-2-one
CID 3283535
(3S)-3-[2-(3-aminophenyl)-2-oxoethyl]-1-[(2-chlorophenyl)methyl]-3-hydroxyindol-2-one
CID 7106104
(3S)-1-[(2-chlorophenyl)methyl]-3-hydroxy-3-[2-(2-methoxyphenyl)-2-oxoethyl]indol-2-one
CID 1313604
(3R)-1-[(2-chlorophenyl)methyl]-3-hydroxy-5-methyl-3-(2-oxopropyl)indol-2-one
CID 7444630

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(2-chlorophenyl)methyl]-3-hydroxy-3-[(2R)-1-oxo-1-phenylpropan-2-yl]indol-2-one?
The IUPAC name of (3R)-1-[(2-chlorophenyl)methyl]-3-hydroxy-3-[(2R)-1-oxo-1-phenylpropan-2-yl]indol-2-one (CID 7281273) is (3R)-1-[(2-chlorophenyl)methyl]-3-hydroxy-3-[(2R)-1-oxo-1-phenylpropan-2-yl]indol-2-one.
What is the SMILES notation for (3R)-1-[(2-chlorophenyl)methyl]-3-hydroxy-3-[(2R)-1-oxo-1-phenylpropan-2-yl]indol-2-one?
The canonical SMILES for (3R)-1-[(2-chlorophenyl)methyl]-3-hydroxy-3-[(2R)-1-oxo-1-phenylpropan-2-yl]indol-2-one is C[C@@H](C(=O)c1ccccc1)[C@]1(O)C(=O)N(Cc2ccccc2Cl)c2ccccc21.
What is the InChIKey of (3R)-1-[(2-chlorophenyl)methyl]-3-hydroxy-3-[(2R)-1-oxo-1-phenylpropan-2-yl]indol-2-one?
The InChIKey is WFHDXWIRBHHUKT-UPCLLVRISA-N. The full InChI is InChI=1S/C24H20ClNO3/c1-16(22(27)17-9-3-2-4-10-17)24(29)19-12-6-8-14-21(19)26(23(24)28)15-18-11-5-7-13-20(18)25/h2-14,16,29H,15H2,1H3/t16-,24+/m0/s1.
What are the key properties of (3R)-1-[(2-chlorophenyl)methyl]-3-hydroxy-3-[(2R)-1-oxo-1-phenylpropan-2-yl]indol-2-one?
(3R)-1-[(2-chlorophenyl)methyl]-3-hydroxy-3-[(2R)-1-oxo-1-phenylpropan-2-yl]indol-2-one has a molecular weight of 405.88 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(2-chlorophenyl)methyl]-3-hydroxy-3-[(2R)-1-oxo-1-phenylpropan-2-yl]indol-2-one is sourced from PubChem (CID 7281273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).