N-(2-chloro-4-pyridinyl)-2-[1-[(2,4-dichlorophenyl)methyl]-5-methyl-2-(trifluoromethyl)indol-3-yl]-2-oxoacetamide

C24H15Cl3F3N3O2 — CID 87464777

IUPACN-(2-chloro-4-pyridinyl)-2-[1-[(2,4-dichlorophenyl)methyl]-5-methyl-2-(trifluoromethyl)indol-3-yl]-2-oxoacetamide
SMILESCc1ccc2c(c1)c(C(=O)C(=O)Nc1ccnc(Cl)c1)c(C(F)(F)F)n2Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C24H15Cl3F3N3O2/c1-12-2-5-18-16(8-12)20(21(34)23(35)32-15-6-7-31-19(27)10-15)22(24(28,29)30)33(18)11-13-3-4-14(25)9-17(13)26/h2-10H,11H2,1H3,(H,31,32,35)
InChIKeyWHAQCIKILHSINL-UHFFFAOYSA-N
MW540.76 g/mol
LogP7.19
Rot. Bonds5

About N-(2-chloro-4-pyridinyl)-2-[1-[(2,4-dichlorophenyl)methyl]-5-methyl-2-(trifluoromethyl)indol-3-yl]-2-oxoacetamide

N-(2-chloro-4-pyridinyl)-2-[1-[(2,4-dichlorophenyl)methyl]-5-methyl-2-(trifluoromethyl)indol-3-yl]-2-oxoacetamide (PubChem CID 87464777) has the molecular formula C24H15Cl3F3N3O2 and a molecular weight of 540.76 g/mol. Its IUPAC name is N-(2-chloro-4-pyridinyl)-2-[1-[(2,4-dichlorophenyl)methyl]-5-methyl-2-(trifluoromethyl)indol-3-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-(2-chloro-4-pyridinyl)-2-[1-[(2,4-dichlorophenyl)methyl]-5-methyl-2-(trifluoromethyl)indol-3-yl]-2-oxoacetamide
PubChem CID87464777
Molecular FormulaC24H15Cl3F3N3O2
Molecular Weight540.76 g/mol
Exact Mass539.02
IUPAC NameN-(2-chloro-4-pyridinyl)-2-[1-[(2,4-dichlorophenyl)methyl]-5-methyl-2-(trifluoromethyl)indol-3-yl]-2-oxoacetamide
SMILESCc1ccc2c(c1)c(C(=O)C(=O)Nc1ccnc(Cl)c1)c(C(F)(F)F)n2Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C24H15Cl3F3N3O2/c1-12-2-5-18-16(8-12)20(21(34)23(35)32-15-6-7-31-19(27)10-15)22(24(28,29)30)33(18)11-13-3-4-14(25)9-17(13)26/h2-10H,11H2,1H3,(H,31,32,35)
InChIKeyWHAQCIKILHSINL-UHFFFAOYSA-N
XLogP7.19
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.76
LogP ≤ 57.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-[1-[(2,4-dichlorophenyl)methyl]-5-hydroxy-2-(trifluoromethyl)indol-3-yl]-N-(2-methyl-4-pyridinyl)-2-oxoacetamide
CID 68907605
2-[5-chloro-1-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-2-oxo-N-pyridin-2-ylacetamide
CID 87619544
2-[2-chloro-1-[(4-chlorophenyl)methyl]-5-methylindol-3-yl]-N-(2-chloro-4-pyridinyl)-2-oxoacetamide
CID 53307201
N-(3-chlorophenyl)-2-[1-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-2-oxoacetamide
CID 87464361
2-[1-[(2,4-dichlorophenyl)methyl]-5-ethoxy-2-(trifluoromethyl)indol-3-yl]-2-oxo-N-pyrimidin-2-ylacetamide
CID 68911625
2-[1-[(4-chlorophenyl)methyl]-5-methyl-2-(trifluoromethyl)indol-3-yl]-2-oxo-N-pyrimidin-4-ylacetamide
CID 68912713
[1-[(2,4-dichlorophenyl)methyl]-5-methyl-2-(trifluoromethyl)indol-3-yl]-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)methanone
CID 67243544
[1-[(2,4-dichlorophenyl)methyl]-5-methyl-2-(trifluoromethyl)indol-3-yl]-(5-phenyl-1,3,4-oxadiazol-2-yl)methanone
CID 67243688
2-[1-[(2-chloro-4-fluorophenyl)methyl]-2,5-dimethylindol-4-yl]-N-(2-methoxy-4-pyridinyl)-2-oxoacetamide
CID 25145688
2-[1-[(4-chloro-2-fluorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-N-(2-methoxy-4-pyridinyl)-2-oxoacetamide
CID 53482570
[5-chloro-1-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-(5-pyridin-4-yl-1,3-oxazol-2-yl)methanone
CID 87323012
2-[1-[(2-chloro-4-fluorophenyl)methyl]-2-methylindol-3-yl]-N-(2-methoxy-4-pyridinyl)-2-oxoacetamide
CID 25145835

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-pyridinyl)-2-[1-[(2,4-dichlorophenyl)methyl]-5-methyl-2-(trifluoromethyl)indol-3-yl]-2-oxoacetamide?
The IUPAC name of N-(2-chloro-4-pyridinyl)-2-[1-[(2,4-dichlorophenyl)methyl]-5-methyl-2-(trifluoromethyl)indol-3-yl]-2-oxoacetamide (CID 87464777) is N-(2-chloro-4-pyridinyl)-2-[1-[(2,4-dichlorophenyl)methyl]-5-methyl-2-(trifluoromethyl)indol-3-yl]-2-oxoacetamide.
What is the SMILES notation for N-(2-chloro-4-pyridinyl)-2-[1-[(2,4-dichlorophenyl)methyl]-5-methyl-2-(trifluoromethyl)indol-3-yl]-2-oxoacetamide?
The canonical SMILES for N-(2-chloro-4-pyridinyl)-2-[1-[(2,4-dichlorophenyl)methyl]-5-methyl-2-(trifluoromethyl)indol-3-yl]-2-oxoacetamide is Cc1ccc2c(c1)c(C(=O)C(=O)Nc1ccnc(Cl)c1)c(C(F)(F)F)n2Cc1ccc(Cl)cc1Cl.
What is the InChIKey of N-(2-chloro-4-pyridinyl)-2-[1-[(2,4-dichlorophenyl)methyl]-5-methyl-2-(trifluoromethyl)indol-3-yl]-2-oxoacetamide?
The InChIKey is WHAQCIKILHSINL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15Cl3F3N3O2/c1-12-2-5-18-16(8-12)20(21(34)23(35)32-15-6-7-31-19(27)10-15)22(24(28,29)30)33(18)11-13-3-4-14(25)9-17(13)26/h2-10H,11H2,1H3,(H,31,32,35).
What are the key properties of N-(2-chloro-4-pyridinyl)-2-[1-[(2,4-dichlorophenyl)methyl]-5-methyl-2-(trifluoromethyl)indol-3-yl]-2-oxoacetamide?
N-(2-chloro-4-pyridinyl)-2-[1-[(2,4-dichlorophenyl)methyl]-5-methyl-2-(trifluoromethyl)indol-3-yl]-2-oxoacetamide has a molecular weight of 540.76 g/mol, XLogP of 7.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-pyridinyl)-2-[1-[(2,4-dichlorophenyl)methyl]-5-methyl-2-(trifluoromethyl)indol-3-yl]-2-oxoacetamide is sourced from PubChem (CID 87464777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).