N-(3-chlorophenyl)-2-[1-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-2-oxoacetamide

C24H14Cl3F3N2O2 — CID 87464361

IUPACN-(3-chlorophenyl)-2-[1-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-2-oxoacetamide
SMILESO=C(Nc1cccc(Cl)c1)C(=O)c1c(C(F)(F)F)n(Cc2ccc(Cl)cc2Cl)c2ccccc12
InChIInChI=1S/C24H14Cl3F3N2O2/c25-14-4-3-5-16(10-14)31-23(34)21(33)20-17-6-1-2-7-19(17)32(22(20)24(28,29)30)12-13-8-9-15(26)11-18(13)27/h1-11H,12H2,(H,31,34)
InChIKeyJSVBGNNFEAIQCA-UHFFFAOYSA-N
MW525.74 g/mol
LogP7.49
Rot. Bonds5

About N-(3-chlorophenyl)-2-[1-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-2-oxoacetamide

N-(3-chlorophenyl)-2-[1-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-2-oxoacetamide (PubChem CID 87464361) has the molecular formula C24H14Cl3F3N2O2 and a molecular weight of 525.74 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[1-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-[1-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-2-oxoacetamide
PubChem CID87464361
Molecular FormulaC24H14Cl3F3N2O2
Molecular Weight525.74 g/mol
Exact Mass524.01
IUPAC NameN-(3-chlorophenyl)-2-[1-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-2-oxoacetamide
SMILESO=C(Nc1cccc(Cl)c1)C(=O)c1c(C(F)(F)F)n(Cc2ccc(Cl)cc2Cl)c2ccccc12
InChIInChI=1S/C24H14Cl3F3N2O2/c25-14-4-3-5-16(10-14)31-23(34)21(33)20-17-6-1-2-7-19(17)32(22(20)24(28,29)30)12-13-8-9-15(26)11-18(13)27/h1-11H,12H2,(H,31,34)
InChIKeyJSVBGNNFEAIQCA-UHFFFAOYSA-N
XLogP7.49
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.74
LogP ≤ 57.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[5-chloro-1-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-2-oxo-N-pyridin-2-ylacetamide
CID 87619544
N-(2-chloro-4-pyridinyl)-2-[1-[(2,4-dichlorophenyl)methyl]-5-methyl-2-(trifluoromethyl)indol-3-yl]-2-oxoacetamide
CID 87464777
2-[1-[(2,4-dichlorophenyl)methyl]-5-hydroxy-2-(trifluoromethyl)indol-3-yl]-N-(2-methyl-4-pyridinyl)-2-oxoacetamide
CID 68907605
2-[1-[(2,4-dichlorophenyl)methyl]-5-ethoxy-2-(trifluoromethyl)indol-3-yl]-2-oxo-N-pyrimidin-2-ylacetamide
CID 68911625
N-(3-chlorophenyl)-2-[2,5-dichloro-1-[(4-chlorophenyl)methyl]indol-3-yl]-2-oxoacetamide
CID 68911621
2-[5-chloro-1-[(4-chlorophenyl)methyl]-2-methylindol-3-yl]-N-(3-chlorophenyl)-2-oxoacetamide
CID 53307127
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-[2,5-dichloro-1-[(2,4-dichlorophenyl)methyl]indol-3-yl]-N-(4-methoxyphenyl)-2-oxoacetamide
CID 68907507
2-[1-[(2-chloro-4-fluorophenyl)methyl]-2-methylindol-3-yl]-N-(2-methoxy-4-pyridinyl)-2-oxoacetamide
CID 25145835
2-[2-chloro-1-[(2,4-dichlorophenyl)methyl]-5-methoxyindol-3-yl]-N-(4-methoxyphenyl)-2-oxoacetamide
CID 68908072
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
[5-chloro-1-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-(5-pyridin-4-yl-1,3-oxazol-2-yl)methanone
CID 87323012

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[1-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-2-oxoacetamide?
The IUPAC name of N-(3-chlorophenyl)-2-[1-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-2-oxoacetamide (CID 87464361) is N-(3-chlorophenyl)-2-[1-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-2-oxoacetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-[1-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-2-oxoacetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-[1-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-2-oxoacetamide is O=C(Nc1cccc(Cl)c1)C(=O)c1c(C(F)(F)F)n(Cc2ccc(Cl)cc2Cl)c2ccccc12.
What is the InChIKey of N-(3-chlorophenyl)-2-[1-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-2-oxoacetamide?
The InChIKey is JSVBGNNFEAIQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14Cl3F3N2O2/c25-14-4-3-5-16(10-14)31-23(34)21(33)20-17-6-1-2-7-19(17)32(22(20)24(28,29)30)12-13-8-9-15(26)11-18(13)27/h1-11H,12H2,(H,31,34).
What are the key properties of N-(3-chlorophenyl)-2-[1-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-2-oxoacetamide?
N-(3-chlorophenyl)-2-[1-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-2-oxoacetamide has a molecular weight of 525.74 g/mol, XLogP of 7.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-[1-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-2-oxoacetamide is sourced from PubChem (CID 87464361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).