5-chloro-1-[(2-chlorophenyl)methyl]-3-hydroxy-3-(2-naphthalen-1-yl-2-oxoethyl)indol-2-one

C27H19Cl2NO3 — CID 4522231

IUPAC5-chloro-1-[(2-chlorophenyl)methyl]-3-hydroxy-3-(2-naphthalen-1-yl-2-oxoethyl)indol-2-one
SMILESO=C(CC1(O)C(=O)N(Cc2ccccc2Cl)c2ccc(Cl)cc21)c1cccc2ccccc12
InChIInChI=1S/C27H19Cl2NO3/c28-19-12-13-24-22(14-19)27(33,26(32)30(24)16-18-7-2-4-11-23(18)29)15-25(31)21-10-5-8-17-6-1-3-9-20(17)21/h1-14,33H,15-16H2
InChIKeyWLPQHPRKWCFHRD-UHFFFAOYSA-N
MW476.36 g/mol
LogP6.15
Rot. Bonds5

About 5-chloro-1-[(2-chlorophenyl)methyl]-3-hydroxy-3-(2-naphthalen-1-yl-2-oxoethyl)indol-2-one

5-chloro-1-[(2-chlorophenyl)methyl]-3-hydroxy-3-(2-naphthalen-1-yl-2-oxoethyl)indol-2-one (PubChem CID 4522231) has the molecular formula C27H19Cl2NO3 and a molecular weight of 476.36 g/mol. Its IUPAC name is 5-chloro-1-[(2-chlorophenyl)methyl]-3-hydroxy-3-(2-naphthalen-1-yl-2-oxoethyl)indol-2-one.

Molecular Properties

Compound Name5-chloro-1-[(2-chlorophenyl)methyl]-3-hydroxy-3-(2-naphthalen-1-yl-2-oxoethyl)indol-2-one
PubChem CID4522231
Molecular FormulaC27H19Cl2NO3
Molecular Weight476.36 g/mol
Exact Mass475.07
IUPAC Name5-chloro-1-[(2-chlorophenyl)methyl]-3-hydroxy-3-(2-naphthalen-1-yl-2-oxoethyl)indol-2-one
SMILESO=C(CC1(O)C(=O)N(Cc2ccccc2Cl)c2ccc(Cl)cc21)c1cccc2ccccc12
InChIInChI=1S/C27H19Cl2NO3/c28-19-12-13-24-22(14-19)27(33,26(32)30(24)16-18-7-2-4-11-23(18)29)15-25(31)21-10-5-8-17-6-1-3-9-20(17)21/h1-14,33H,15-16H2
InChIKeyWLPQHPRKWCFHRD-UHFFFAOYSA-N
XLogP6.15
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.36
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-[(2-chlorophenyl)methyl]-3-hydroxy-3-(2-naphthalen-1-yl-2-oxoethyl)indol-2-one
CID 1252411
(3R)-5-chloro-1-[(2-chlorophenyl)methyl]-3-hydroxy-3-(2-naphthalen-2-yl-2-oxoethyl)indol-2-one
CID 40875805
5-chloro-3-[2-(2-chlorophenyl)-2-oxoethyl]-3-hydroxy-1-[(2-methylphenyl)methyl]indol-2-one
CID 66523007
(3S)-5-chloro-1-[(2-chlorophenyl)methyl]-3-[2-(2,5-dimethylphenyl)-2-oxoethyl]-3-hydroxyindol-2-one
CID 40875858
(3R)-5-chloro-3-hydroxy-1-methyl-3-(2-naphthalen-1-yl-2-oxoethyl)indol-2-one
CID 7282002
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
(3S)-5-chloro-1-[(2-chlorophenyl)methyl]-3-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]-3-hydroxyindol-2-one
CID 40875833
(3S)-5-chloro-3-[2-(4-ethylphenyl)-2-oxoethyl]-3-hydroxy-1-(naphthalen-1-ylmethyl)indol-2-one
CID 1216240
(3S)-5-chloro-3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1-(naphthalen-1-ylmethyl)indol-2-one
CID 29445600
1-benzyl-5-bromo-3-hydroxy-3-(2-naphthalen-1-yl-2-oxoethyl)indol-2-one
CID 3587004
(3R)-5-chloro-1-[(2-chlorophenyl)methyl]-3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-3-hydroxyindol-2-one
CID 2243141
5-bromo-1-[(2,4-dimethylphenyl)methyl]-3-hydroxy-3-(2-naphthalen-1-yl-2-oxoethyl)indol-2-one
CID 17077739

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[(2-chlorophenyl)methyl]-3-hydroxy-3-(2-naphthalen-1-yl-2-oxoethyl)indol-2-one?
The IUPAC name of 5-chloro-1-[(2-chlorophenyl)methyl]-3-hydroxy-3-(2-naphthalen-1-yl-2-oxoethyl)indol-2-one (CID 4522231) is 5-chloro-1-[(2-chlorophenyl)methyl]-3-hydroxy-3-(2-naphthalen-1-yl-2-oxoethyl)indol-2-one.
What is the SMILES notation for 5-chloro-1-[(2-chlorophenyl)methyl]-3-hydroxy-3-(2-naphthalen-1-yl-2-oxoethyl)indol-2-one?
The canonical SMILES for 5-chloro-1-[(2-chlorophenyl)methyl]-3-hydroxy-3-(2-naphthalen-1-yl-2-oxoethyl)indol-2-one is O=C(CC1(O)C(=O)N(Cc2ccccc2Cl)c2ccc(Cl)cc21)c1cccc2ccccc12.
What is the InChIKey of 5-chloro-1-[(2-chlorophenyl)methyl]-3-hydroxy-3-(2-naphthalen-1-yl-2-oxoethyl)indol-2-one?
The InChIKey is WLPQHPRKWCFHRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19Cl2NO3/c28-19-12-13-24-22(14-19)27(33,26(32)30(24)16-18-7-2-4-11-23(18)29)15-25(31)21-10-5-8-17-6-1-3-9-20(17)21/h1-14,33H,15-16H2.
What are the key properties of 5-chloro-1-[(2-chlorophenyl)methyl]-3-hydroxy-3-(2-naphthalen-1-yl-2-oxoethyl)indol-2-one?
5-chloro-1-[(2-chlorophenyl)methyl]-3-hydroxy-3-(2-naphthalen-1-yl-2-oxoethyl)indol-2-one has a molecular weight of 476.36 g/mol, XLogP of 6.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[(2-chlorophenyl)methyl]-3-hydroxy-3-(2-naphthalen-1-yl-2-oxoethyl)indol-2-one is sourced from PubChem (CID 4522231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).