N-[5-[2-[4-(trifluoromethyl)phenyl]ethoxy]-1H-pyrrolo[2,3-b]pyridin-3-yl]acetamide

C18H16F3N3O2 — CID 167467575

IUPACN-[5-[2-[4-(trifluoromethyl)phenyl]ethoxy]-1H-pyrrolo[2,3-b]pyridin-3-yl]acetamide
SMILESCC(=O)Nc1c[nH]c2ncc(OCCc3ccc(C(F)(F)F)cc3)cc12
InChIInChI=1S/C18H16F3N3O2/c1-11(25)24-16-10-23-17-15(16)8-14(9-22-17)26-7-6-12-2-4-13(5-3-12)18(19,20)21/h2-5,8-10H,6-7H2,1H3,(H,22,23)(H,24,25)
InChIKeyNNRNUWUHSAKYSF-UHFFFAOYSA-N
MW363.34 g/mol
LogP4.16
Rot. Bonds5

About N-[5-[2-[4-(trifluoromethyl)phenyl]ethoxy]-1H-pyrrolo[2,3-b]pyridin-3-yl]acetamide

N-[5-[2-[4-(trifluoromethyl)phenyl]ethoxy]-1H-pyrrolo[2,3-b]pyridin-3-yl]acetamide (PubChem CID 167467575) has the molecular formula C18H16F3N3O2 and a molecular weight of 363.34 g/mol. Its IUPAC name is N-[5-[2-[4-(trifluoromethyl)phenyl]ethoxy]-1H-pyrrolo[2,3-b]pyridin-3-yl]acetamide.

Molecular Properties

Compound NameN-[5-[2-[4-(trifluoromethyl)phenyl]ethoxy]-1H-pyrrolo[2,3-b]pyridin-3-yl]acetamide
PubChem CID167467575
Molecular FormulaC18H16F3N3O2
Molecular Weight363.34 g/mol
Exact Mass363.12
IUPAC NameN-[5-[2-[4-(trifluoromethyl)phenyl]ethoxy]-1H-pyrrolo[2,3-b]pyridin-3-yl]acetamide
SMILESCC(=O)Nc1c[nH]c2ncc(OCCc3ccc(C(F)(F)F)cc3)cc12
InChIInChI=1S/C18H16F3N3O2/c1-11(25)24-16-10-23-17-15(16)8-14(9-22-17)26-7-6-12-2-4-13(5-3-12)18(19,20)21/h2-5,8-10H,6-7H2,1H3,(H,22,23)(H,24,25)
InChIKeyNNRNUWUHSAKYSF-UHFFFAOYSA-N
XLogP4.16
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.34
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-[2-[4-(trifluoromethyl)phenyl]ethoxy]-1H-pyrrolo[2,3-b]pyridin-3-yl]acetamide?
The IUPAC name of N-[5-[2-[4-(trifluoromethyl)phenyl]ethoxy]-1H-pyrrolo[2,3-b]pyridin-3-yl]acetamide (CID 167467575) is N-[5-[2-[4-(trifluoromethyl)phenyl]ethoxy]-1H-pyrrolo[2,3-b]pyridin-3-yl]acetamide.
What is the SMILES notation for N-[5-[2-[4-(trifluoromethyl)phenyl]ethoxy]-1H-pyrrolo[2,3-b]pyridin-3-yl]acetamide?
The canonical SMILES for N-[5-[2-[4-(trifluoromethyl)phenyl]ethoxy]-1H-pyrrolo[2,3-b]pyridin-3-yl]acetamide is CC(=O)Nc1c[nH]c2ncc(OCCc3ccc(C(F)(F)F)cc3)cc12.
What is the InChIKey of N-[5-[2-[4-(trifluoromethyl)phenyl]ethoxy]-1H-pyrrolo[2,3-b]pyridin-3-yl]acetamide?
The InChIKey is NNRNUWUHSAKYSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N3O2/c1-11(25)24-16-10-23-17-15(16)8-14(9-22-17)26-7-6-12-2-4-13(5-3-12)18(19,20)21/h2-5,8-10H,6-7H2,1H3,(H,22,23)(H,24,25).
What are the key properties of N-[5-[2-[4-(trifluoromethyl)phenyl]ethoxy]-1H-pyrrolo[2,3-b]pyridin-3-yl]acetamide?
N-[5-[2-[4-(trifluoromethyl)phenyl]ethoxy]-1H-pyrrolo[2,3-b]pyridin-3-yl]acetamide has a molecular weight of 363.34 g/mol, XLogP of 4.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-[4-(trifluoromethyl)phenyl]ethoxy]-1H-pyrrolo[2,3-b]pyridin-3-yl]acetamide is sourced from PubChem (CID 167467575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).