N-[1-[[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]indol-5-yl]acetamide

C20H19F3N2O2 — CID 90066649

IUPACN-[1-[[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]indol-5-yl]acetamide
SMILESCC(=O)Nc1ccc2c(ccn2Cc2ccc(C(C)(O)C(F)(F)F)cc2)c1
InChIInChI=1S/C20H19F3N2O2/c1-13(26)24-17-7-8-18-15(11-17)9-10-25(18)12-14-3-5-16(6-4-14)19(2,27)20(21,22)23/h3-11,27H,12H2,1-2H3,(H,24,26)
InChIKeyHBFAWJBZWMOFBF-UHFFFAOYSA-N
MW376.38 g/mol
LogP4.42
Rot. Bonds4

About N-[1-[[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]indol-5-yl]acetamide

N-[1-[[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]indol-5-yl]acetamide (PubChem CID 90066649) has the molecular formula C20H19F3N2O2 and a molecular weight of 376.38 g/mol. Its IUPAC name is N-[1-[[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]indol-5-yl]acetamide.

Molecular Properties

Compound NameN-[1-[[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]indol-5-yl]acetamide
PubChem CID90066649
Molecular FormulaC20H19F3N2O2
Molecular Weight376.38 g/mol
Exact Mass376.14
IUPAC NameN-[1-[[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]indol-5-yl]acetamide
SMILESCC(=O)Nc1ccc2c(ccn2Cc2ccc(C(C)(O)C(F)(F)F)cc2)c1
InChIInChI=1S/C20H19F3N2O2/c1-13(26)24-17-7-8-18-15(11-17)9-10-25(18)12-14-3-5-16(6-4-14)19(2,27)20(21,22)23/h3-11,27H,12H2,1-2H3,(H,24,26)
InChIKeyHBFAWJBZWMOFBF-UHFFFAOYSA-N
XLogP4.42
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.38
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]indol-5-yl]acetamide?
The IUPAC name of N-[1-[[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]indol-5-yl]acetamide (CID 90066649) is N-[1-[[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]indol-5-yl]acetamide.
What is the SMILES notation for N-[1-[[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]indol-5-yl]acetamide?
The canonical SMILES for N-[1-[[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]indol-5-yl]acetamide is CC(=O)Nc1ccc2c(ccn2Cc2ccc(C(C)(O)C(F)(F)F)cc2)c1.
What is the InChIKey of N-[1-[[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]indol-5-yl]acetamide?
The InChIKey is HBFAWJBZWMOFBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N2O2/c1-13(26)24-17-7-8-18-15(11-17)9-10-25(18)12-14-3-5-16(6-4-14)19(2,27)20(21,22)23/h3-11,27H,12H2,1-2H3,(H,24,26).
What are the key properties of N-[1-[[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]indol-5-yl]acetamide?
N-[1-[[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]indol-5-yl]acetamide has a molecular weight of 376.38 g/mol, XLogP of 4.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]indol-5-yl]acetamide is sourced from PubChem (CID 90066649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).