N-[2,6-dichloro-4-(trifluoromethoxy)phenyl]-2-[1-[(4-fluorophenyl)methyl]-5-hydroxyindol-3-yl]-2-oxoacetamide

C24H14Cl2F4N2O4 — CID 23066920

IUPACN-[2,6-dichloro-4-(trifluoromethoxy)phenyl]-2-[1-[(4-fluorophenyl)methyl]-5-hydroxyindol-3-yl]-2-oxoacetamide
SMILESO=C(Nc1c(Cl)cc(OC(F)(F)F)cc1Cl)C(=O)c1cn(Cc2ccc(F)cc2)c2ccc(O)cc12
InChIInChI=1S/C24H14Cl2F4N2O4/c25-18-8-15(36-24(28,29)30)9-19(26)21(18)31-23(35)22(34)17-11-32(10-12-1-3-13(27)4-2-12)20-6-5-14(33)7-16(17)20/h1-9,11,33H,10H2,(H,31,35)
InChIKeyAJCMLRNTTDXJGH-UHFFFAOYSA-N
MW541.28 g/mol
LogP6.56
Rot. Bonds6

About N-[2,6-dichloro-4-(trifluoromethoxy)phenyl]-2-[1-[(4-fluorophenyl)methyl]-5-hydroxyindol-3-yl]-2-oxoacetamide

N-[2,6-dichloro-4-(trifluoromethoxy)phenyl]-2-[1-[(4-fluorophenyl)methyl]-5-hydroxyindol-3-yl]-2-oxoacetamide (PubChem CID 23066920) has the molecular formula C24H14Cl2F4N2O4 and a molecular weight of 541.28 g/mol. Its IUPAC name is N-[2,6-dichloro-4-(trifluoromethoxy)phenyl]-2-[1-[(4-fluorophenyl)methyl]-5-hydroxyindol-3-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-[2,6-dichloro-4-(trifluoromethoxy)phenyl]-2-[1-[(4-fluorophenyl)methyl]-5-hydroxyindol-3-yl]-2-oxoacetamide
PubChem CID23066920
Molecular FormulaC24H14Cl2F4N2O4
Molecular Weight541.28 g/mol
Exact Mass540.03
IUPAC NameN-[2,6-dichloro-4-(trifluoromethoxy)phenyl]-2-[1-[(4-fluorophenyl)methyl]-5-hydroxyindol-3-yl]-2-oxoacetamide
SMILESO=C(Nc1c(Cl)cc(OC(F)(F)F)cc1Cl)C(=O)c1cn(Cc2ccc(F)cc2)c2ccc(O)cc12
InChIInChI=1S/C24H14Cl2F4N2O4/c25-18-8-15(36-24(28,29)30)9-19(26)21(18)31-23(35)22(34)17-11-32(10-12-1-3-13(27)4-2-12)20-6-5-14(33)7-16(17)20/h1-9,11,33H,10H2,(H,31,35)
InChIKeyAJCMLRNTTDXJGH-UHFFFAOYSA-N
XLogP6.56
TPSA80.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.28
LogP ≤ 56.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2,6-dichloro-4-(trifluoromethoxy)phenyl]-2-[1-[(4-fluorophenyl)methyl]-5-hydroxyindol-3-yl]-2-oxoacetamide?
The IUPAC name of N-[2,6-dichloro-4-(trifluoromethoxy)phenyl]-2-[1-[(4-fluorophenyl)methyl]-5-hydroxyindol-3-yl]-2-oxoacetamide (CID 23066920) is N-[2,6-dichloro-4-(trifluoromethoxy)phenyl]-2-[1-[(4-fluorophenyl)methyl]-5-hydroxyindol-3-yl]-2-oxoacetamide.
What is the SMILES notation for N-[2,6-dichloro-4-(trifluoromethoxy)phenyl]-2-[1-[(4-fluorophenyl)methyl]-5-hydroxyindol-3-yl]-2-oxoacetamide?
The canonical SMILES for N-[2,6-dichloro-4-(trifluoromethoxy)phenyl]-2-[1-[(4-fluorophenyl)methyl]-5-hydroxyindol-3-yl]-2-oxoacetamide is O=C(Nc1c(Cl)cc(OC(F)(F)F)cc1Cl)C(=O)c1cn(Cc2ccc(F)cc2)c2ccc(O)cc12.
What is the InChIKey of N-[2,6-dichloro-4-(trifluoromethoxy)phenyl]-2-[1-[(4-fluorophenyl)methyl]-5-hydroxyindol-3-yl]-2-oxoacetamide?
The InChIKey is AJCMLRNTTDXJGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14Cl2F4N2O4/c25-18-8-15(36-24(28,29)30)9-19(26)21(18)31-23(35)22(34)17-11-32(10-12-1-3-13(27)4-2-12)20-6-5-14(33)7-16(17)20/h1-9,11,33H,10H2,(H,31,35).
What are the key properties of N-[2,6-dichloro-4-(trifluoromethoxy)phenyl]-2-[1-[(4-fluorophenyl)methyl]-5-hydroxyindol-3-yl]-2-oxoacetamide?
N-[2,6-dichloro-4-(trifluoromethoxy)phenyl]-2-[1-[(4-fluorophenyl)methyl]-5-hydroxyindol-3-yl]-2-oxoacetamide has a molecular weight of 541.28 g/mol, XLogP of 6.56, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-dichloro-4-(trifluoromethoxy)phenyl]-2-[1-[(4-fluorophenyl)methyl]-5-hydroxyindol-3-yl]-2-oxoacetamide is sourced from PubChem (CID 23066920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).