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

C21H25FN2O — CID 11290763

IUPACN-[1-[(4-fluorophenyl)methyl]-2,3-dihydroindol-5-yl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)Nc1ccc2c(c1)CCN2Cc1ccc(F)cc1
InChIInChI=1S/C21H25FN2O/c1-21(2,3)13-20(25)23-18-8-9-19-16(12-18)10-11-24(19)14-15-4-6-17(22)7-5-15/h4-9,12H,10-11,13-14H2,1-3H3,(H,23,25)
InChIKeyORDFNPXQFMYCJJ-UHFFFAOYSA-N
MW340.44 g/mol
LogP4.76
Rot. Bonds4

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

N-[1-[(4-fluorophenyl)methyl]-2,3-dihydroindol-5-yl]-3,3-dimethylbutanamide (PubChem CID 11290763) has the molecular formula C21H25FN2O and a molecular weight of 340.44 g/mol. Its IUPAC name is N-[1-[(4-fluorophenyl)methyl]-2,3-dihydroindol-5-yl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[1-[(4-fluorophenyl)methyl]-2,3-dihydroindol-5-yl]-3,3-dimethylbutanamide
PubChem CID11290763
Molecular FormulaC21H25FN2O
Molecular Weight340.44 g/mol
Exact Mass340.20
IUPAC NameN-[1-[(4-fluorophenyl)methyl]-2,3-dihydroindol-5-yl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)Nc1ccc2c(c1)CCN2Cc1ccc(F)cc1
InChIInChI=1S/C21H25FN2O/c1-21(2,3)13-20(25)23-18-8-9-19-16(12-18)10-11-24(19)14-15-4-6-17(22)7-5-15/h4-9,12H,10-11,13-14H2,1-3H3,(H,23,25)
InChIKeyORDFNPXQFMYCJJ-UHFFFAOYSA-N
XLogP4.76
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.44
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[(4-fluorophenyl)methyl]-2,3-dihydroindol-5-yl]-3,3-dimethylbutanamide?
The IUPAC name of N-[1-[(4-fluorophenyl)methyl]-2,3-dihydroindol-5-yl]-3,3-dimethylbutanamide (CID 11290763) is N-[1-[(4-fluorophenyl)methyl]-2,3-dihydroindol-5-yl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[1-[(4-fluorophenyl)methyl]-2,3-dihydroindol-5-yl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[1-[(4-fluorophenyl)methyl]-2,3-dihydroindol-5-yl]-3,3-dimethylbutanamide is CC(C)(C)CC(=O)Nc1ccc2c(c1)CCN2Cc1ccc(F)cc1.
What is the InChIKey of N-[1-[(4-fluorophenyl)methyl]-2,3-dihydroindol-5-yl]-3,3-dimethylbutanamide?
The InChIKey is ORDFNPXQFMYCJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O/c1-21(2,3)13-20(25)23-18-8-9-19-16(12-18)10-11-24(19)14-15-4-6-17(22)7-5-15/h4-9,12H,10-11,13-14H2,1-3H3,(H,23,25).
What are the key properties of N-[1-[(4-fluorophenyl)methyl]-2,3-dihydroindol-5-yl]-3,3-dimethylbutanamide?
N-[1-[(4-fluorophenyl)methyl]-2,3-dihydroindol-5-yl]-3,3-dimethylbutanamide has a molecular weight of 340.44 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-fluorophenyl)methyl]-2,3-dihydroindol-5-yl]-3,3-dimethylbutanamide is sourced from PubChem (CID 11290763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).