N-[1-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]-2-(4-fluorophenyl)acetamide

C24H19ClF4N2O — CID 11202071

IUPACN-[1-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]-2-(4-fluorophenyl)acetamide
SMILESO=C(Cc1ccc(F)cc1)Nc1ccc2c(c1)CCN2Cc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C24H19ClF4N2O/c25-21-7-3-18(24(27,28)29)12-17(21)14-31-10-9-16-13-20(6-8-22(16)31)30-23(32)11-15-1-4-19(26)5-2-15/h1-8,12-13H,9-11,14H2,(H,30,32)
InChIKeyWVTBISXVGWDRJU-UHFFFAOYSA-N
MW462.87 g/mol
LogP6.24
Rot. Bonds5

About N-[1-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]-2-(4-fluorophenyl)acetamide

N-[1-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]-2-(4-fluorophenyl)acetamide (PubChem CID 11202071) has the molecular formula C24H19ClF4N2O and a molecular weight of 462.87 g/mol. Its IUPAC name is N-[1-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[1-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]-2-(4-fluorophenyl)acetamide
PubChem CID11202071
Molecular FormulaC24H19ClF4N2O
Molecular Weight462.87 g/mol
Exact Mass462.11
IUPAC NameN-[1-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]-2-(4-fluorophenyl)acetamide
SMILESO=C(Cc1ccc(F)cc1)Nc1ccc2c(c1)CCN2Cc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C24H19ClF4N2O/c25-21-7-3-18(24(27,28)29)12-17(21)14-31-10-9-16-13-20(6-8-22(16)31)30-23(32)11-15-1-4-19(26)5-2-15/h1-8,12-13H,9-11,14H2,(H,30,32)
InChIKeyWVTBISXVGWDRJU-UHFFFAOYSA-N
XLogP6.24
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.87
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze N-[1-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]-2-(4-fluorophenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-[1-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]-2-(4-fluorophenyl)acetamide (CID 11202071) is N-[1-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-[1-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-[1-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]-2-(4-fluorophenyl)acetamide is O=C(Cc1ccc(F)cc1)Nc1ccc2c(c1)CCN2Cc1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of N-[1-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]-2-(4-fluorophenyl)acetamide?
The InChIKey is WVTBISXVGWDRJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClF4N2O/c25-21-7-3-18(24(27,28)29)12-17(21)14-31-10-9-16-13-20(6-8-22(16)31)30-23(32)11-15-1-4-19(26)5-2-15/h1-8,12-13H,9-11,14H2,(H,30,32).
What are the key properties of N-[1-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]-2-(4-fluorophenyl)acetamide?
N-[1-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]-2-(4-fluorophenyl)acetamide has a molecular weight of 462.87 g/mol, XLogP of 6.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 11202071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).