(3S)-3-[2-(3-aminophenyl)-2-oxoethyl]-1-[(2-chlorophenyl)methyl]-3-hydroxyindol-2-one

C23H19ClN2O3 — CID 7106104

IUPAC(3S)-3-[2-(3-aminophenyl)-2-oxoethyl]-1-[(2-chlorophenyl)methyl]-3-hydroxyindol-2-one
SMILESNc1cccc(C(=O)C[C@@]2(O)C(=O)N(Cc3ccccc3Cl)c3ccccc32)c1
InChIInChI=1S/C23H19ClN2O3/c24-19-10-3-1-6-16(19)14-26-20-11-4-2-9-18(20)23(29,22(26)28)13-21(27)15-7-5-8-17(25)12-15/h1-12,29H,13-14,25H2/t23-/m0/s1
InChIKeyLDYOSQALPFXPDN-QHCPKHFHSA-N
MW406.87 g/mol
LogP3.93
Rot. Bonds5

About (3S)-3-[2-(3-aminophenyl)-2-oxoethyl]-1-[(2-chlorophenyl)methyl]-3-hydroxyindol-2-one

(3S)-3-[2-(3-aminophenyl)-2-oxoethyl]-1-[(2-chlorophenyl)methyl]-3-hydroxyindol-2-one (PubChem CID 7106104) has the molecular formula C23H19ClN2O3 and a molecular weight of 406.87 g/mol. Its IUPAC name is (3S)-3-[2-(3-aminophenyl)-2-oxoethyl]-1-[(2-chlorophenyl)methyl]-3-hydroxyindol-2-one.

Molecular Properties

Compound Name(3S)-3-[2-(3-aminophenyl)-2-oxoethyl]-1-[(2-chlorophenyl)methyl]-3-hydroxyindol-2-one
PubChem CID7106104
Molecular FormulaC23H19ClN2O3
Molecular Weight406.87 g/mol
Exact Mass406.11
IUPAC Name(3S)-3-[2-(3-aminophenyl)-2-oxoethyl]-1-[(2-chlorophenyl)methyl]-3-hydroxyindol-2-one
SMILESNc1cccc(C(=O)C[C@@]2(O)C(=O)N(Cc3ccccc3Cl)c3ccccc32)c1
InChIInChI=1S/C23H19ClN2O3/c24-19-10-3-1-6-16(19)14-26-20-11-4-2-9-18(20)23(29,22(26)28)13-21(27)15-7-5-8-17(25)12-15/h1-12,29H,13-14,25H2/t23-/m0/s1
InChIKeyLDYOSQALPFXPDN-QHCPKHFHSA-N
XLogP3.93
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.87
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3S)-1-[(2-chlorophenyl)methyl]-3-hydroxy-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]indol-2-one
CID 41339042
(3S)-3-[2-(4-tert-butylphenyl)-2-oxoethyl]-1-[(2-chlorophenyl)methyl]-3-hydroxyindol-2-one
CID 1216234
(3S)-3-[2-(4-aminophenyl)-2-oxoethyl]-5-bromo-1-[(2-chlorophenyl)methyl]-3-hydroxyindol-2-one
CID 7106602
(3S)-1-[(2-chlorophenyl)methyl]-3-hydroxy-3-(2-naphthalen-1-yl-2-oxoethyl)indol-2-one
CID 1252411
(3S)-1-[(2-chlorophenyl)methyl]-3-hydroxy-3-[2-(4-nitrophenyl)-2-oxoethyl]indol-2-one
CID 40874850
(3S)-1-[(2-chlorophenyl)methyl]-3-hydroxy-3-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]indol-2-one
CID 40874882
(3S)-1-[(2-chloro-6-fluorophenyl)methyl]-3-hydroxy-3-phenacylindol-2-one
CID 1425884
1-[(2-chlorophenyl)methyl]-3-hydroxy-3-[2-oxo-2-(2-oxochromen-3-yl)ethyl]indol-2-one
CID 2928032
(3S)-3-[2-(3-aminophenyl)-2-oxoethyl]-3-hydroxy-1-(morpholin-4-ylmethyl)indol-2-one
CID 1425627
(3R)-5-chloro-1-[(2-chlorophenyl)methyl]-3-hydroxy-3-(2-naphthalen-2-yl-2-oxoethyl)indol-2-one
CID 40875805
(3S)-1-[(2-chlorophenyl)methyl]-3-hydroxy-3-[2-(2-methoxyphenyl)-2-oxoethyl]indol-2-one
CID 1313604
(3R)-1-benzyl-3-hydroxy-3-phenacylindol-2-one
CID 7014468

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[2-(3-aminophenyl)-2-oxoethyl]-1-[(2-chlorophenyl)methyl]-3-hydroxyindol-2-one?
The IUPAC name of (3S)-3-[2-(3-aminophenyl)-2-oxoethyl]-1-[(2-chlorophenyl)methyl]-3-hydroxyindol-2-one (CID 7106104) is (3S)-3-[2-(3-aminophenyl)-2-oxoethyl]-1-[(2-chlorophenyl)methyl]-3-hydroxyindol-2-one.
What is the SMILES notation for (3S)-3-[2-(3-aminophenyl)-2-oxoethyl]-1-[(2-chlorophenyl)methyl]-3-hydroxyindol-2-one?
The canonical SMILES for (3S)-3-[2-(3-aminophenyl)-2-oxoethyl]-1-[(2-chlorophenyl)methyl]-3-hydroxyindol-2-one is Nc1cccc(C(=O)C[C@@]2(O)C(=O)N(Cc3ccccc3Cl)c3ccccc32)c1.
What is the InChIKey of (3S)-3-[2-(3-aminophenyl)-2-oxoethyl]-1-[(2-chlorophenyl)methyl]-3-hydroxyindol-2-one?
The InChIKey is LDYOSQALPFXPDN-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H19ClN2O3/c24-19-10-3-1-6-16(19)14-26-20-11-4-2-9-18(20)23(29,22(26)28)13-21(27)15-7-5-8-17(25)12-15/h1-12,29H,13-14,25H2/t23-/m0/s1.
What are the key properties of (3S)-3-[2-(3-aminophenyl)-2-oxoethyl]-1-[(2-chlorophenyl)methyl]-3-hydroxyindol-2-one?
(3S)-3-[2-(3-aminophenyl)-2-oxoethyl]-1-[(2-chlorophenyl)methyl]-3-hydroxyindol-2-one has a molecular weight of 406.87 g/mol, XLogP of 3.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[2-(3-aminophenyl)-2-oxoethyl]-1-[(2-chlorophenyl)methyl]-3-hydroxyindol-2-one is sourced from PubChem (CID 7106104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).