N-[1-[[5-(4-chlorophenoxy)-1,3-dimethylpyrazol-4-yl]methyl]-2,3-dihydroindol-5-yl]-2-(4-fluorophenyl)acetamide

C28H26ClFN4O2 — CID 11420752

IUPACN-[1-[[5-(4-chlorophenoxy)-1,3-dimethylpyrazol-4-yl]methyl]-2,3-dihydroindol-5-yl]-2-(4-fluorophenyl)acetamide
SMILESCc1nn(C)c(Oc2ccc(Cl)cc2)c1CN1CCc2cc(NC(=O)Cc3ccc(F)cc3)ccc21
InChIInChI=1S/C28H26ClFN4O2/c1-18-25(28(33(2)32-18)36-24-10-5-21(29)6-11-24)17-34-14-13-20-16-23(9-12-26(20)34)31-27(35)15-19-3-7-22(30)8-4-19/h3-12,16H,13-15,17H2,1-2H3,(H,31,35)
InChIKeyCBTMVBYHAPYJDV-UHFFFAOYSA-N
MW504.99 g/mol
LogP6.06
Rot. Bonds7

About N-[1-[[5-(4-chlorophenoxy)-1,3-dimethylpyrazol-4-yl]methyl]-2,3-dihydroindol-5-yl]-2-(4-fluorophenyl)acetamide

N-[1-[[5-(4-chlorophenoxy)-1,3-dimethylpyrazol-4-yl]methyl]-2,3-dihydroindol-5-yl]-2-(4-fluorophenyl)acetamide (PubChem CID 11420752) has the molecular formula C28H26ClFN4O2 and a molecular weight of 504.99 g/mol. Its IUPAC name is N-[1-[[5-(4-chlorophenoxy)-1,3-dimethylpyrazol-4-yl]methyl]-2,3-dihydroindol-5-yl]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[1-[[5-(4-chlorophenoxy)-1,3-dimethylpyrazol-4-yl]methyl]-2,3-dihydroindol-5-yl]-2-(4-fluorophenyl)acetamide
PubChem CID11420752
Molecular FormulaC28H26ClFN4O2
Molecular Weight504.99 g/mol
Exact Mass504.17
IUPAC NameN-[1-[[5-(4-chlorophenoxy)-1,3-dimethylpyrazol-4-yl]methyl]-2,3-dihydroindol-5-yl]-2-(4-fluorophenyl)acetamide
SMILESCc1nn(C)c(Oc2ccc(Cl)cc2)c1CN1CCc2cc(NC(=O)Cc3ccc(F)cc3)ccc21
InChIInChI=1S/C28H26ClFN4O2/c1-18-25(28(33(2)32-18)36-24-10-5-21(29)6-11-24)17-34-14-13-20-16-23(9-12-26(20)34)31-27(35)15-19-3-7-22(30)8-4-19/h3-12,16H,13-15,17H2,1-2H3,(H,31,35)
InChIKeyCBTMVBYHAPYJDV-UHFFFAOYSA-N
XLogP6.06
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.99
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-[[5-(4-chlorophenoxy)-1,3-dimethylpyrazol-4-yl]methyl]-2,3-dihydroindol-5-yl]-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-[1-[[5-(4-chlorophenoxy)-1,3-dimethylpyrazol-4-yl]methyl]-2,3-dihydroindol-5-yl]-2-(4-fluorophenyl)acetamide (CID 11420752) is N-[1-[[5-(4-chlorophenoxy)-1,3-dimethylpyrazol-4-yl]methyl]-2,3-dihydroindol-5-yl]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-[1-[[5-(4-chlorophenoxy)-1,3-dimethylpyrazol-4-yl]methyl]-2,3-dihydroindol-5-yl]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-[1-[[5-(4-chlorophenoxy)-1,3-dimethylpyrazol-4-yl]methyl]-2,3-dihydroindol-5-yl]-2-(4-fluorophenyl)acetamide is Cc1nn(C)c(Oc2ccc(Cl)cc2)c1CN1CCc2cc(NC(=O)Cc3ccc(F)cc3)ccc21.
What is the InChIKey of N-[1-[[5-(4-chlorophenoxy)-1,3-dimethylpyrazol-4-yl]methyl]-2,3-dihydroindol-5-yl]-2-(4-fluorophenyl)acetamide?
The InChIKey is CBTMVBYHAPYJDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26ClFN4O2/c1-18-25(28(33(2)32-18)36-24-10-5-21(29)6-11-24)17-34-14-13-20-16-23(9-12-26(20)34)31-27(35)15-19-3-7-22(30)8-4-19/h3-12,16H,13-15,17H2,1-2H3,(H,31,35).
What are the key properties of N-[1-[[5-(4-chlorophenoxy)-1,3-dimethylpyrazol-4-yl]methyl]-2,3-dihydroindol-5-yl]-2-(4-fluorophenyl)acetamide?
N-[1-[[5-(4-chlorophenoxy)-1,3-dimethylpyrazol-4-yl]methyl]-2,3-dihydroindol-5-yl]-2-(4-fluorophenyl)acetamide has a molecular weight of 504.99 g/mol, XLogP of 6.06, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[5-(4-chlorophenoxy)-1,3-dimethylpyrazol-4-yl]methyl]-2,3-dihydroindol-5-yl]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 11420752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).