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

C19H17F5N2O — CID 71811939

IUPACN-[1-[[4-(1,1,2,2,2-pentafluoroethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide
SMILESCC(=O)Nc1ccc2c(c1)CCN2Cc1ccc(C(F)(F)C(F)(F)F)cc1
InChIInChI=1S/C19H17F5N2O/c1-12(27)25-16-6-7-17-14(10-16)8-9-26(17)11-13-2-4-15(5-3-13)18(20,21)19(22,23)24/h2-7,10H,8-9,11H2,1H3,(H,25,27)
InChIKeySCYDXDFRDIQABR-UHFFFAOYSA-N
MW384.35 g/mol
LogP4.86
Rot. Bonds4

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

N-[1-[[4-(1,1,2,2,2-pentafluoroethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide (PubChem CID 71811939) has the molecular formula C19H17F5N2O and a molecular weight of 384.35 g/mol. Its IUPAC name is N-[1-[[4-(1,1,2,2,2-pentafluoroethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide.

Molecular Properties

Compound NameN-[1-[[4-(1,1,2,2,2-pentafluoroethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide
PubChem CID71811939
Molecular FormulaC19H17F5N2O
Molecular Weight384.35 g/mol
Exact Mass384.13
IUPAC NameN-[1-[[4-(1,1,2,2,2-pentafluoroethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide
SMILESCC(=O)Nc1ccc2c(c1)CCN2Cc1ccc(C(F)(F)C(F)(F)F)cc1
InChIInChI=1S/C19H17F5N2O/c1-12(27)25-16-6-7-17-14(10-16)8-9-26(17)11-13-2-4-15(5-3-13)18(20,21)19(22,23)24/h2-7,10H,8-9,11H2,1H3,(H,25,27)
InChIKeySCYDXDFRDIQABR-UHFFFAOYSA-N
XLogP4.86
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.35
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-[[4-(1,1,2,2,2-pentafluoroethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide?
The IUPAC name of N-[1-[[4-(1,1,2,2,2-pentafluoroethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide (CID 71811939) is N-[1-[[4-(1,1,2,2,2-pentafluoroethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide.
What is the SMILES notation for N-[1-[[4-(1,1,2,2,2-pentafluoroethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide?
The canonical SMILES for N-[1-[[4-(1,1,2,2,2-pentafluoroethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide is CC(=O)Nc1ccc2c(c1)CCN2Cc1ccc(C(F)(F)C(F)(F)F)cc1.
What is the InChIKey of N-[1-[[4-(1,1,2,2,2-pentafluoroethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide?
The InChIKey is SCYDXDFRDIQABR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F5N2O/c1-12(27)25-16-6-7-17-14(10-16)8-9-26(17)11-13-2-4-15(5-3-13)18(20,21)19(22,23)24/h2-7,10H,8-9,11H2,1H3,(H,25,27).
What are the key properties of N-[1-[[4-(1,1,2,2,2-pentafluoroethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide?
N-[1-[[4-(1,1,2,2,2-pentafluoroethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide has a molecular weight of 384.35 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[4-(1,1,2,2,2-pentafluoroethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide is sourced from PubChem (CID 71811939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).