5-chloro-3-[2-chloro-5-(2-methoxyethoxymethyl)phenyl]-1-[(2,4-dimethoxyphenyl)methyl]-3-methylindol-2-one

C28H29Cl2NO5 — CID 10208686

IUPAC5-chloro-3-[2-chloro-5-(2-methoxyethoxymethyl)phenyl]-1-[(2,4-dimethoxyphenyl)methyl]-3-methylindol-2-one
SMILESCOCCOCc1ccc(Cl)c(C2(C)C(=O)N(Cc3ccc(OC)cc3OC)c3ccc(Cl)cc32)c1
InChIInChI=1S/C28H29Cl2NO5/c1-28(22-13-18(5-9-24(22)30)17-36-12-11-33-2)23-14-20(29)7-10-25(23)31(27(28)32)16-19-6-8-21(34-3)15-26(19)35-4/h5-10,13-15H,11-12,16-17H2,1-4H3
InChIKeySINJMAOFDXSCKM-UHFFFAOYSA-N
MW530.45 g/mol
LogP6.03
Rot. Bonds10

About 5-chloro-3-[2-chloro-5-(2-methoxyethoxymethyl)phenyl]-1-[(2,4-dimethoxyphenyl)methyl]-3-methylindol-2-one

5-chloro-3-[2-chloro-5-(2-methoxyethoxymethyl)phenyl]-1-[(2,4-dimethoxyphenyl)methyl]-3-methylindol-2-one (PubChem CID 10208686) has the molecular formula C28H29Cl2NO5 and a molecular weight of 530.45 g/mol. Its IUPAC name is 5-chloro-3-[2-chloro-5-(2-methoxyethoxymethyl)phenyl]-1-[(2,4-dimethoxyphenyl)methyl]-3-methylindol-2-one.

Molecular Properties

Compound Name5-chloro-3-[2-chloro-5-(2-methoxyethoxymethyl)phenyl]-1-[(2,4-dimethoxyphenyl)methyl]-3-methylindol-2-one
PubChem CID10208686
Molecular FormulaC28H29Cl2NO5
Molecular Weight530.45 g/mol
Exact Mass529.14
IUPAC Name5-chloro-3-[2-chloro-5-(2-methoxyethoxymethyl)phenyl]-1-[(2,4-dimethoxyphenyl)methyl]-3-methylindol-2-one
SMILESCOCCOCc1ccc(Cl)c(C2(C)C(=O)N(Cc3ccc(OC)cc3OC)c3ccc(Cl)cc32)c1
InChIInChI=1S/C28H29Cl2NO5/c1-28(22-13-18(5-9-24(22)30)17-36-12-11-33-2)23-14-20(29)7-10-25(23)31(27(28)32)16-19-6-8-21(34-3)15-26(19)35-4/h5-10,13-15H,11-12,16-17H2,1-4H3
InChIKeySINJMAOFDXSCKM-UHFFFAOYSA-N
XLogP6.03
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.45
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-3-[2-chloro-5-(2-morpholin-4-ylethoxymethyl)phenyl]-1-[(2,4-dimethoxyphenyl)methyl]-3-methylindol-2-one
CID 10303809
4-chloro-3-[5-chloro-1-[(2,4-dimethoxyphenyl)methyl]-3-methyl-2-oxoindol-3-yl]-N-cyclohexylbenzamide
CID 18752941
4-chloro-3-[5-chloro-1-[(2,4-dimethoxyphenyl)methyl]-3-methyl-2-oxoindol-3-yl]-N-ethyl-N-(2-hydroxyethyl)benzamide
CID 18752949
N-[4-chloro-3-[5-chloro-1-[(2,4-dimethoxyphenyl)methyl]-3-methyl-2-oxoindol-3-yl]phenyl]pyridine-3-carboxamide
CID 10303164
5-chloro-3-[2-chloro-5-[(2R)-2-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]phenyl]-1-[(2,4-dimethoxyphenyl)methyl]-3-methylindol-2-one
CID 20610854
1-acetyl-N-[4-chloro-3-[5-chloro-1-[(2,4-dimethoxyphenyl)methyl]-3-methyl-2-oxoindol-3-yl]phenyl]-N-methylpyrrolidine-2-carboxamide
CID 18752943
4-chloro-3-[2-[5-chloro-1-[(2,4-dimethoxyphenyl)methyl]-3-methyl-2-oxoindol-3-yl]ethyl]-N-(2-methoxyethyl)benzamide
CID 91108844
4-chloro-3-[5-chloro-1-[(2,4-dimethoxyphenyl)methyl]-3-methyl-2-oxoindol-3-yl]-N-ethyl-N-(2-pyridin-2-ylethyl)benzamide;hydrochloride
CID 18752965
4-chloro-3-[1-[(2,4-dimethoxyphenyl)methyl]-3-methyl-2-oxoindol-3-yl]-N,N-diethylbenzamide
CID 18753022
4-chloro-3-[5-chloro-1-[(2,4-dimethoxyphenyl)methyl]-3-methyl-2-oxoindol-3-yl]-N-ethyl-N-[[1-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pyridin-1-ium-3-yl]methyl]benzamide
CID 68820181
4-chloro-3-[5-chloro-1-[(2,4-dimethoxyphenyl)methyl]-3-methyl-2-oxoindol-3-yl]-N-ethyl-N-[[1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pyridin-1-ium-3-yl]methyl]benzamide
CID 11664964
1-[[4-[bis(2-methylpropyl)amino]-2-methoxyphenyl]methyl]-5-chloro-3-(2-chlorophenyl)-3-methylindol-2-one
CID 15521775

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[2-chloro-5-(2-methoxyethoxymethyl)phenyl]-1-[(2,4-dimethoxyphenyl)methyl]-3-methylindol-2-one?
The IUPAC name of 5-chloro-3-[2-chloro-5-(2-methoxyethoxymethyl)phenyl]-1-[(2,4-dimethoxyphenyl)methyl]-3-methylindol-2-one (CID 10208686) is 5-chloro-3-[2-chloro-5-(2-methoxyethoxymethyl)phenyl]-1-[(2,4-dimethoxyphenyl)methyl]-3-methylindol-2-one.
What is the SMILES notation for 5-chloro-3-[2-chloro-5-(2-methoxyethoxymethyl)phenyl]-1-[(2,4-dimethoxyphenyl)methyl]-3-methylindol-2-one?
The canonical SMILES for 5-chloro-3-[2-chloro-5-(2-methoxyethoxymethyl)phenyl]-1-[(2,4-dimethoxyphenyl)methyl]-3-methylindol-2-one is COCCOCc1ccc(Cl)c(C2(C)C(=O)N(Cc3ccc(OC)cc3OC)c3ccc(Cl)cc32)c1.
What is the InChIKey of 5-chloro-3-[2-chloro-5-(2-methoxyethoxymethyl)phenyl]-1-[(2,4-dimethoxyphenyl)methyl]-3-methylindol-2-one?
The InChIKey is SINJMAOFDXSCKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29Cl2NO5/c1-28(22-13-18(5-9-24(22)30)17-36-12-11-33-2)23-14-20(29)7-10-25(23)31(27(28)32)16-19-6-8-21(34-3)15-26(19)35-4/h5-10,13-15H,11-12,16-17H2,1-4H3.
What are the key properties of 5-chloro-3-[2-chloro-5-(2-methoxyethoxymethyl)phenyl]-1-[(2,4-dimethoxyphenyl)methyl]-3-methylindol-2-one?
5-chloro-3-[2-chloro-5-(2-methoxyethoxymethyl)phenyl]-1-[(2,4-dimethoxyphenyl)methyl]-3-methylindol-2-one has a molecular weight of 530.45 g/mol, XLogP of 6.03, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[2-chloro-5-(2-methoxyethoxymethyl)phenyl]-1-[(2,4-dimethoxyphenyl)methyl]-3-methylindol-2-one is sourced from PubChem (CID 10208686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).