N-[2-(2-benzyl-6-methoxy-3H-inden-1-yl)ethyl]-2,2,2-trifluoroacetamide

C21H20F3NO2 — CID 11100842

IUPACN-[2-(2-benzyl-6-methoxy-3H-inden-1-yl)ethyl]-2,2,2-trifluoroacetamide
SMILESCOc1ccc2c(c1)C(CCNC(=O)C(F)(F)F)=C(Cc1ccccc1)C2
InChIInChI=1S/C21H20F3NO2/c1-27-17-8-7-15-12-16(11-14-5-3-2-4-6-14)18(19(15)13-17)9-10-25-20(26)21(22,23)24/h2-8,13H,9-12H2,1H3,(H,25,26)
InChIKeyJDDDHXPCWLVPQC-UHFFFAOYSA-N
MW375.39 g/mol
LogP4.32
Rot. Bonds6

About N-[2-(2-benzyl-6-methoxy-3H-inden-1-yl)ethyl]-2,2,2-trifluoroacetamide

N-[2-(2-benzyl-6-methoxy-3H-inden-1-yl)ethyl]-2,2,2-trifluoroacetamide (PubChem CID 11100842) has the molecular formula C21H20F3NO2 and a molecular weight of 375.39 g/mol. Its IUPAC name is N-[2-(2-benzyl-6-methoxy-3H-inden-1-yl)ethyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[2-(2-benzyl-6-methoxy-3H-inden-1-yl)ethyl]-2,2,2-trifluoroacetamide
PubChem CID11100842
Molecular FormulaC21H20F3NO2
Molecular Weight375.39 g/mol
Exact Mass375.14
IUPAC NameN-[2-(2-benzyl-6-methoxy-3H-inden-1-yl)ethyl]-2,2,2-trifluoroacetamide
SMILESCOc1ccc2c(c1)C(CCNC(=O)C(F)(F)F)=C(Cc1ccccc1)C2
InChIInChI=1S/C21H20F3NO2/c1-27-17-8-7-15-12-16(11-14-5-3-2-4-6-14)18(19(15)13-17)9-10-25-20(26)21(22,23)24/h2-8,13H,9-12H2,1H3,(H,25,26)
InChIKeyJDDDHXPCWLVPQC-UHFFFAOYSA-N
XLogP4.32
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.39
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-benzyl-6-methoxy-3H-inden-1-yl)ethyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[2-(2-benzyl-6-methoxy-3H-inden-1-yl)ethyl]-2,2,2-trifluoroacetamide (CID 11100842) is N-[2-(2-benzyl-6-methoxy-3H-inden-1-yl)ethyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[2-(2-benzyl-6-methoxy-3H-inden-1-yl)ethyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[2-(2-benzyl-6-methoxy-3H-inden-1-yl)ethyl]-2,2,2-trifluoroacetamide is COc1ccc2c(c1)C(CCNC(=O)C(F)(F)F)=C(Cc1ccccc1)C2.
What is the InChIKey of N-[2-(2-benzyl-6-methoxy-3H-inden-1-yl)ethyl]-2,2,2-trifluoroacetamide?
The InChIKey is JDDDHXPCWLVPQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3NO2/c1-27-17-8-7-15-12-16(11-14-5-3-2-4-6-14)18(19(15)13-17)9-10-25-20(26)21(22,23)24/h2-8,13H,9-12H2,1H3,(H,25,26).
What are the key properties of N-[2-(2-benzyl-6-methoxy-3H-inden-1-yl)ethyl]-2,2,2-trifluoroacetamide?
N-[2-(2-benzyl-6-methoxy-3H-inden-1-yl)ethyl]-2,2,2-trifluoroacetamide has a molecular weight of 375.39 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-benzyl-6-methoxy-3H-inden-1-yl)ethyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 11100842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).