2-[2,5-dichloro-1-[(2,4-dichlorophenyl)methyl]indol-3-yl]-N-(4-methoxyphenyl)-2-oxoacetamide

C24H16Cl4N2O3 — CID 68907507

IUPAC2-[2,5-dichloro-1-[(2,4-dichlorophenyl)methyl]indol-3-yl]-N-(4-methoxyphenyl)-2-oxoacetamide
SMILESCOc1ccc(NC(=O)C(=O)c2c(Cl)n(Cc3ccc(Cl)cc3Cl)c3ccc(Cl)cc23)cc1
InChIInChI=1S/C24H16Cl4N2O3/c1-33-17-7-5-16(6-8-17)29-24(32)22(31)21-18-10-14(25)4-9-20(18)30(23(21)28)12-13-2-3-15(26)11-19(13)27/h2-11H,12H2,1H3,(H,29,32)
InChIKeyAPHHSGURZZWSRU-UHFFFAOYSA-N
MW522.22 g/mol
LogP7.13
Rot. Bonds6

About 2-[2,5-dichloro-1-[(2,4-dichlorophenyl)methyl]indol-3-yl]-N-(4-methoxyphenyl)-2-oxoacetamide

2-[2,5-dichloro-1-[(2,4-dichlorophenyl)methyl]indol-3-yl]-N-(4-methoxyphenyl)-2-oxoacetamide (PubChem CID 68907507) has the molecular formula C24H16Cl4N2O3 and a molecular weight of 522.22 g/mol. Its IUPAC name is 2-[2,5-dichloro-1-[(2,4-dichlorophenyl)methyl]indol-3-yl]-N-(4-methoxyphenyl)-2-oxoacetamide.

Molecular Properties

Compound Name2-[2,5-dichloro-1-[(2,4-dichlorophenyl)methyl]indol-3-yl]-N-(4-methoxyphenyl)-2-oxoacetamide
PubChem CID68907507
Molecular FormulaC24H16Cl4N2O3
Molecular Weight522.22 g/mol
Exact Mass519.99
IUPAC Name2-[2,5-dichloro-1-[(2,4-dichlorophenyl)methyl]indol-3-yl]-N-(4-methoxyphenyl)-2-oxoacetamide
SMILESCOc1ccc(NC(=O)C(=O)c2c(Cl)n(Cc3ccc(Cl)cc3Cl)c3ccc(Cl)cc23)cc1
InChIInChI=1S/C24H16Cl4N2O3/c1-33-17-7-5-16(6-8-17)29-24(32)22(31)21-18-10-14(25)4-9-20(18)30(23(21)28)12-13-2-3-15(26)11-19(13)27/h2-11H,12H2,1H3,(H,29,32)
InChIKeyAPHHSGURZZWSRU-UHFFFAOYSA-N
XLogP7.13
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.22
LogP ≤ 57.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-chloro-1-[(2,4-dichlorophenyl)methyl]-5-methoxyindol-3-yl]-N-(4-methoxyphenyl)-2-oxoacetamide
CID 68908072
2-[2-chloro-1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-N-(4-methoxyphenyl)-2-oxoacetamide
CID 68911820
2-[2-chloro-1-[(4-chlorophenyl)methyl]indol-3-yl]-2-oxo-N-pyridin-3-ylacetamide;2-[2-chloro-1-[(2,4-dichlorophenyl)methyl]-5-methoxyindol-3-yl]-2-oxo-N-pyridin-3-ylacetamide
CID 87660617
2-[1-[(2,4-dichlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-2-oxo-N-phenylacetamide;2-[1-[(2,4-dichlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-2-oxo-N-pyrimidin-4-ylacetamide
CID 158518060
2-[2-chloro-1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-2-oxo-N-pyridin-3-ylacetamide
CID 53308195
2-[2-chloro-1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-2-oxo-N-pyridin-4-ylacetamide;2-[1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-2-oxo-N-phenylacetamide
CID 161243659
2-[1-[(4-chloro-2-fluorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-N-(2-methoxy-4-pyridinyl)-2-oxoacetamide
CID 53482570
1-[2-(2,4-dichlorophenyl)ethyl]-3-(4-methoxyphenyl)urea
CID 108991031
2-[1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-2-oxo-N-pyridin-4-ylacetamide
CID 25144704
[2-chloro-1-[(2,4-dichlorophenyl)methyl]-5-methoxyindol-3-yl]-(5-phenyl-1,3-oxazol-2-yl)methanone
CID 67245188
2-[1-[(2,4-dichlorophenyl)methyl]-5-ethoxy-2-(trifluoromethyl)indol-3-yl]-2-oxo-N-pyrimidin-2-ylacetamide
CID 68911625
1-[(2,4-dichlorophenyl)methyl]-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 43919697

Frequently Asked Questions

What is the IUPAC name of 2-[2,5-dichloro-1-[(2,4-dichlorophenyl)methyl]indol-3-yl]-N-(4-methoxyphenyl)-2-oxoacetamide?
The IUPAC name of 2-[2,5-dichloro-1-[(2,4-dichlorophenyl)methyl]indol-3-yl]-N-(4-methoxyphenyl)-2-oxoacetamide (CID 68907507) is 2-[2,5-dichloro-1-[(2,4-dichlorophenyl)methyl]indol-3-yl]-N-(4-methoxyphenyl)-2-oxoacetamide.
What is the SMILES notation for 2-[2,5-dichloro-1-[(2,4-dichlorophenyl)methyl]indol-3-yl]-N-(4-methoxyphenyl)-2-oxoacetamide?
The canonical SMILES for 2-[2,5-dichloro-1-[(2,4-dichlorophenyl)methyl]indol-3-yl]-N-(4-methoxyphenyl)-2-oxoacetamide is COc1ccc(NC(=O)C(=O)c2c(Cl)n(Cc3ccc(Cl)cc3Cl)c3ccc(Cl)cc23)cc1.
What is the InChIKey of 2-[2,5-dichloro-1-[(2,4-dichlorophenyl)methyl]indol-3-yl]-N-(4-methoxyphenyl)-2-oxoacetamide?
The InChIKey is APHHSGURZZWSRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16Cl4N2O3/c1-33-17-7-5-16(6-8-17)29-24(32)22(31)21-18-10-14(25)4-9-20(18)30(23(21)28)12-13-2-3-15(26)11-19(13)27/h2-11H,12H2,1H3,(H,29,32).
What are the key properties of 2-[2,5-dichloro-1-[(2,4-dichlorophenyl)methyl]indol-3-yl]-N-(4-methoxyphenyl)-2-oxoacetamide?
2-[2,5-dichloro-1-[(2,4-dichlorophenyl)methyl]indol-3-yl]-N-(4-methoxyphenyl)-2-oxoacetamide has a molecular weight of 522.22 g/mol, XLogP of 7.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,5-dichloro-1-[(2,4-dichlorophenyl)methyl]indol-3-yl]-N-(4-methoxyphenyl)-2-oxoacetamide is sourced from PubChem (CID 68907507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).