N-benzyl-N-[2-[(7-chloro-1H-indol-4-yl)oxy]ethyl]-2,2,2-trifluoroacetamide

C19H16ClF3N2O2 — CID 10548801

IUPACN-benzyl-N-[2-[(7-chloro-1H-indol-4-yl)oxy]ethyl]-2,2,2-trifluoroacetamide
SMILESO=C(N(CCOc1ccc(Cl)c2[nH]ccc12)Cc1ccccc1)C(F)(F)F
InChIInChI=1S/C19H16ClF3N2O2/c20-15-6-7-16(14-8-9-24-17(14)15)27-11-10-25(18(26)19(21,22)23)12-13-4-2-1-3-5-13/h1-9,24H,10-12H2
InChIKeyTXXXTKSWYWVWIO-UHFFFAOYSA-N
MW396.80 g/mol
LogP4.79
Rot. Bonds6

About N-benzyl-N-[2-[(7-chloro-1H-indol-4-yl)oxy]ethyl]-2,2,2-trifluoroacetamide

N-benzyl-N-[2-[(7-chloro-1H-indol-4-yl)oxy]ethyl]-2,2,2-trifluoroacetamide (PubChem CID 10548801) has the molecular formula C19H16ClF3N2O2 and a molecular weight of 396.80 g/mol. Its IUPAC name is N-benzyl-N-[2-[(7-chloro-1H-indol-4-yl)oxy]ethyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-benzyl-N-[2-[(7-chloro-1H-indol-4-yl)oxy]ethyl]-2,2,2-trifluoroacetamide
PubChem CID10548801
Molecular FormulaC19H16ClF3N2O2
Molecular Weight396.80 g/mol
Exact Mass396.09
IUPAC NameN-benzyl-N-[2-[(7-chloro-1H-indol-4-yl)oxy]ethyl]-2,2,2-trifluoroacetamide
SMILESO=C(N(CCOc1ccc(Cl)c2[nH]ccc12)Cc1ccccc1)C(F)(F)F
InChIInChI=1S/C19H16ClF3N2O2/c20-15-6-7-16(14-8-9-24-17(14)15)27-11-10-25(18(26)19(21,22)23)12-13-4-2-1-3-5-13/h1-9,24H,10-12H2
InChIKeyTXXXTKSWYWVWIO-UHFFFAOYSA-N
XLogP4.79
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.80
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[2-[(7-chloro-1H-indol-4-yl)oxy]ethyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-benzyl-N-[2-[(7-chloro-1H-indol-4-yl)oxy]ethyl]-2,2,2-trifluoroacetamide (CID 10548801) is N-benzyl-N-[2-[(7-chloro-1H-indol-4-yl)oxy]ethyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-benzyl-N-[2-[(7-chloro-1H-indol-4-yl)oxy]ethyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-benzyl-N-[2-[(7-chloro-1H-indol-4-yl)oxy]ethyl]-2,2,2-trifluoroacetamide is O=C(N(CCOc1ccc(Cl)c2[nH]ccc12)Cc1ccccc1)C(F)(F)F.
What is the InChIKey of N-benzyl-N-[2-[(7-chloro-1H-indol-4-yl)oxy]ethyl]-2,2,2-trifluoroacetamide?
The InChIKey is TXXXTKSWYWVWIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClF3N2O2/c20-15-6-7-16(14-8-9-24-17(14)15)27-11-10-25(18(26)19(21,22)23)12-13-4-2-1-3-5-13/h1-9,24H,10-12H2.
What are the key properties of N-benzyl-N-[2-[(7-chloro-1H-indol-4-yl)oxy]ethyl]-2,2,2-trifluoroacetamide?
N-benzyl-N-[2-[(7-chloro-1H-indol-4-yl)oxy]ethyl]-2,2,2-trifluoroacetamide has a molecular weight of 396.80 g/mol, XLogP of 4.79, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[2-[(7-chloro-1H-indol-4-yl)oxy]ethyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 10548801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).