(3S)-3-[(2S)-1-(4-chlorophenyl)-1-oxopropan-2-yl]-1-ethyl-3-hydroxyindol-2-one

C19H18ClNO3 — CID 7334078

IUPAC(3S)-3-[(2S)-1-(4-chlorophenyl)-1-oxopropan-2-yl]-1-ethyl-3-hydroxyindol-2-one
SMILESCCN1C(=O)[C@](O)([C@H](C)C(=O)c2ccc(Cl)cc2)c2ccccc21
InChIInChI=1S/C19H18ClNO3/c1-3-21-16-7-5-4-6-15(16)19(24,18(21)23)12(2)17(22)13-8-10-14(20)11-9-13/h4-12,24H,3H2,1-2H3/t12-,19+/m1/s1
InChIKeyDWGVUCSSTBZAHZ-BLVKFPJESA-N
MW343.81 g/mol
LogP3.41
Rot. Bonds4

About (3S)-3-[(2S)-1-(4-chlorophenyl)-1-oxopropan-2-yl]-1-ethyl-3-hydroxyindol-2-one

(3S)-3-[(2S)-1-(4-chlorophenyl)-1-oxopropan-2-yl]-1-ethyl-3-hydroxyindol-2-one (PubChem CID 7334078) has the molecular formula C19H18ClNO3 and a molecular weight of 343.81 g/mol. Its IUPAC name is (3S)-3-[(2S)-1-(4-chlorophenyl)-1-oxopropan-2-yl]-1-ethyl-3-hydroxyindol-2-one.

Molecular Properties

Compound Name(3S)-3-[(2S)-1-(4-chlorophenyl)-1-oxopropan-2-yl]-1-ethyl-3-hydroxyindol-2-one
PubChem CID7334078
Molecular FormulaC19H18ClNO3
Molecular Weight343.81 g/mol
Exact Mass343.10
IUPAC Name(3S)-3-[(2S)-1-(4-chlorophenyl)-1-oxopropan-2-yl]-1-ethyl-3-hydroxyindol-2-one
SMILESCCN1C(=O)[C@](O)([C@H](C)C(=O)c2ccc(Cl)cc2)c2ccccc21
InChIInChI=1S/C19H18ClNO3/c1-3-21-16-7-5-4-6-15(16)19(24,18(21)23)12(2)17(22)13-8-10-14(20)11-9-13/h4-12,24H,3H2,1-2H3/t12-,19+/m1/s1
InChIKeyDWGVUCSSTBZAHZ-BLVKFPJESA-N
XLogP3.41
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.81
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-3-[1-(4-chlorophenyl)-1-oxopropan-2-yl]-3-hydroxyindol-2-one
CID 2976468
(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
(3R)-1-[(2-chlorophenyl)methyl]-3-hydroxy-3-[(2R)-1-oxo-1-phenylpropan-2-yl]indol-2-one
CID 7281273
(3R)-3-hydroxy-1-[(4-methylphenyl)methyl]-3-[(2S)-1-oxo-1-phenylpropan-2-yl]indol-2-one
CID 7281362
(3S)-5-bromo-3-[(2S)-1-(4-chlorophenyl)-1-oxopropan-2-yl]-3-hydroxy-1-prop-2-ynylindol-2-one
CID 41338870
3-[(4-chlorophenyl)methyl]-1-ethyl-3-methylindol-2-one
CID 122371126
(3S)-1-[(4-chlorophenyl)methyl]-3-hydroxy-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]indol-2-one
CID 1216198
(3S)-1-ethyl-3-hydroxy-3-[2-(4-iodophenyl)-2-oxoethyl]indol-2-one
CID 1322722
(3R)-1-ethyl-3-hydroxy-3-[2-oxo-2-(4-phenylphenyl)ethyl]indol-2-one
CID 1162510
(3S)-3-[2-(4-bromophenyl)-2-oxoethyl]-1-ethyl-3-hydroxyindol-2-one
CID 1330472
(3R)-3-[2-(4-bromophenyl)-2-oxoethyl]-1-ethyl-3-hydroxyindol-2-one
CID 1330473

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(2S)-1-(4-chlorophenyl)-1-oxopropan-2-yl]-1-ethyl-3-hydroxyindol-2-one?
The IUPAC name of (3S)-3-[(2S)-1-(4-chlorophenyl)-1-oxopropan-2-yl]-1-ethyl-3-hydroxyindol-2-one (CID 7334078) is (3S)-3-[(2S)-1-(4-chlorophenyl)-1-oxopropan-2-yl]-1-ethyl-3-hydroxyindol-2-one.
What is the SMILES notation for (3S)-3-[(2S)-1-(4-chlorophenyl)-1-oxopropan-2-yl]-1-ethyl-3-hydroxyindol-2-one?
The canonical SMILES for (3S)-3-[(2S)-1-(4-chlorophenyl)-1-oxopropan-2-yl]-1-ethyl-3-hydroxyindol-2-one is CCN1C(=O)[C@](O)([C@H](C)C(=O)c2ccc(Cl)cc2)c2ccccc21.
What is the InChIKey of (3S)-3-[(2S)-1-(4-chlorophenyl)-1-oxopropan-2-yl]-1-ethyl-3-hydroxyindol-2-one?
The InChIKey is DWGVUCSSTBZAHZ-BLVKFPJESA-N. The full InChI is InChI=1S/C19H18ClNO3/c1-3-21-16-7-5-4-6-15(16)19(24,18(21)23)12(2)17(22)13-8-10-14(20)11-9-13/h4-12,24H,3H2,1-2H3/t12-,19+/m1/s1.
What are the key properties of (3S)-3-[(2S)-1-(4-chlorophenyl)-1-oxopropan-2-yl]-1-ethyl-3-hydroxyindol-2-one?
(3S)-3-[(2S)-1-(4-chlorophenyl)-1-oxopropan-2-yl]-1-ethyl-3-hydroxyindol-2-one has a molecular weight of 343.81 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(2S)-1-(4-chlorophenyl)-1-oxopropan-2-yl]-1-ethyl-3-hydroxyindol-2-one is sourced from PubChem (CID 7334078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).