N-[1-[[4-(trifluoromethoxymethyl)phenyl]methyl]indol-5-yl]acetamide

C19H17F3N2O2 — CID 71812158

IUPACN-[1-[[4-(trifluoromethoxymethyl)phenyl]methyl]indol-5-yl]acetamide
SMILESCC(=O)Nc1ccc2c(ccn2Cc2ccc(COC(F)(F)F)cc2)c1
InChIInChI=1S/C19H17F3N2O2/c1-13(25)23-17-6-7-18-16(10-17)8-9-24(18)11-14-2-4-15(5-3-14)12-26-19(20,21)22/h2-10H,11-12H2,1H3,(H,23,25)
InChIKeyVKHLMRROIRKALG-UHFFFAOYSA-N
MW362.35 g/mol
LogP4.68
Rot. Bonds5

About N-[1-[[4-(trifluoromethoxymethyl)phenyl]methyl]indol-5-yl]acetamide

N-[1-[[4-(trifluoromethoxymethyl)phenyl]methyl]indol-5-yl]acetamide (PubChem CID 71812158) has the molecular formula C19H17F3N2O2 and a molecular weight of 362.35 g/mol. Its IUPAC name is N-[1-[[4-(trifluoromethoxymethyl)phenyl]methyl]indol-5-yl]acetamide.

Molecular Properties

Compound NameN-[1-[[4-(trifluoromethoxymethyl)phenyl]methyl]indol-5-yl]acetamide
PubChem CID71812158
Molecular FormulaC19H17F3N2O2
Molecular Weight362.35 g/mol
Exact Mass362.12
IUPAC NameN-[1-[[4-(trifluoromethoxymethyl)phenyl]methyl]indol-5-yl]acetamide
SMILESCC(=O)Nc1ccc2c(ccn2Cc2ccc(COC(F)(F)F)cc2)c1
InChIInChI=1S/C19H17F3N2O2/c1-13(25)23-17-6-7-18-16(10-17)8-9-24(18)11-14-2-4-15(5-3-14)12-26-19(20,21)22/h2-10H,11-12H2,1H3,(H,23,25)
InChIKeyVKHLMRROIRKALG-UHFFFAOYSA-N
XLogP4.68
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.35
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[[4-(trifluoromethoxymethyl)phenyl]methyl]indol-5-yl]acetamide?
The IUPAC name of N-[1-[[4-(trifluoromethoxymethyl)phenyl]methyl]indol-5-yl]acetamide (CID 71812158) is N-[1-[[4-(trifluoromethoxymethyl)phenyl]methyl]indol-5-yl]acetamide.
What is the SMILES notation for N-[1-[[4-(trifluoromethoxymethyl)phenyl]methyl]indol-5-yl]acetamide?
The canonical SMILES for N-[1-[[4-(trifluoromethoxymethyl)phenyl]methyl]indol-5-yl]acetamide is CC(=O)Nc1ccc2c(ccn2Cc2ccc(COC(F)(F)F)cc2)c1.
What is the InChIKey of N-[1-[[4-(trifluoromethoxymethyl)phenyl]methyl]indol-5-yl]acetamide?
The InChIKey is VKHLMRROIRKALG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O2/c1-13(25)23-17-6-7-18-16(10-17)8-9-24(18)11-14-2-4-15(5-3-14)12-26-19(20,21)22/h2-10H,11-12H2,1H3,(H,23,25).
What are the key properties of N-[1-[[4-(trifluoromethoxymethyl)phenyl]methyl]indol-5-yl]acetamide?
N-[1-[[4-(trifluoromethoxymethyl)phenyl]methyl]indol-5-yl]acetamide has a molecular weight of 362.35 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[4-(trifluoromethoxymethyl)phenyl]methyl]indol-5-yl]acetamide is sourced from PubChem (CID 71812158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).