N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide

C17H16FN3O2 — CID 71971432

IUPACN-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
SMILESO=C(Cc1c[nH]c2ncccc12)NCC(O)c1ccccc1F
InChIInChI=1S/C17H16FN3O2/c18-14-6-2-1-4-13(14)15(22)10-20-16(23)8-11-9-21-17-12(11)5-3-7-19-17/h1-7,9,15,22H,8,10H2,(H,19,21)(H,20,23)
InChIKeyWEKIVRRKYPWFKL-UHFFFAOYSA-N
MW313.33 g/mol
LogP2.09
Rot. Bonds5

About N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide

N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide (PubChem CID 71971432) has the molecular formula C17H16FN3O2 and a molecular weight of 313.33 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
PubChem CID71971432
Molecular FormulaC17H16FN3O2
Molecular Weight313.33 g/mol
Exact Mass313.12
IUPAC NameN-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
SMILESO=C(Cc1c[nH]c2ncccc12)NCC(O)c1ccccc1F
InChIInChI=1S/C17H16FN3O2/c18-14-6-2-1-4-13(14)15(22)10-20-16(23)8-11-9-21-17-12(11)5-3-7-19-17/h1-7,9,15,22H,8,10H2,(H,19,21)(H,20,23)
InChIKeyWEKIVRRKYPWFKL-UHFFFAOYSA-N
XLogP2.09
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide?
The IUPAC name of N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide (CID 71971432) is N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide?
The canonical SMILES for N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide is O=C(Cc1c[nH]c2ncccc12)NCC(O)c1ccccc1F.
What is the InChIKey of N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide?
The InChIKey is WEKIVRRKYPWFKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O2/c18-14-6-2-1-4-13(14)15(22)10-20-16(23)8-11-9-21-17-12(11)5-3-7-19-17/h1-7,9,15,22H,8,10H2,(H,19,21)(H,20,23).
What are the key properties of N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide?
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide has a molecular weight of 313.33 g/mol, XLogP of 2.09, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide is sourced from PubChem (CID 71971432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).