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

C18H17F3N2O — CID 90007935

IUPACN-[1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide
SMILESCC(=O)Nc1ccc2c(c1)CCN2Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H17F3N2O/c1-12(24)22-16-6-7-17-14(10-16)8-9-23(17)11-13-2-4-15(5-3-13)18(19,20)21/h2-7,10H,8-9,11H2,1H3,(H,22,24)
InChIKeyBCRUPQXZWQZRPH-UHFFFAOYSA-N
MW334.34 g/mol
LogP4.23
Rot. Bonds3

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

N-[1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide (PubChem CID 90007935) has the molecular formula C18H17F3N2O and a molecular weight of 334.34 g/mol. Its IUPAC name is N-[1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide.

Molecular Properties

Compound NameN-[1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide
PubChem CID90007935
Molecular FormulaC18H17F3N2O
Molecular Weight334.34 g/mol
Exact Mass334.13
IUPAC NameN-[1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide
SMILESCC(=O)Nc1ccc2c(c1)CCN2Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H17F3N2O/c1-12(24)22-16-6-7-17-14(10-16)8-9-23(17)11-13-2-4-15(5-3-13)18(19,20)21/h2-7,10H,8-9,11H2,1H3,(H,22,24)
InChIKeyBCRUPQXZWQZRPH-UHFFFAOYSA-N
XLogP4.23
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 54.23
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-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide?
The IUPAC name of N-[1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide (CID 90007935) is N-[1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide.
What is the SMILES notation for N-[1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide?
The canonical SMILES for N-[1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide is CC(=O)Nc1ccc2c(c1)CCN2Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide?
The InChIKey is BCRUPQXZWQZRPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O/c1-12(24)22-16-6-7-17-14(10-16)8-9-23(17)11-13-2-4-15(5-3-13)18(19,20)21/h2-7,10H,8-9,11H2,1H3,(H,22,24).
What are the key properties of N-[1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide?
N-[1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide has a molecular weight of 334.34 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide is sourced from PubChem (CID 90007935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).