N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-2-(2-oxopyrrolidin-1-yl)acetamide

C18H17F2N3O3 — CID 42517243

IUPACN-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-2-(2-oxopyrrolidin-1-yl)acetamide
SMILESO=C(CN1CCCC1=O)NCc1cccnc1Oc1ccc(F)c(F)c1
InChIInChI=1S/C18H17F2N3O3/c19-14-6-5-13(9-15(14)20)26-18-12(3-1-7-21-18)10-22-16(24)11-23-8-2-4-17(23)25/h1,3,5-7,9H,2,4,8,10-11H2,(H,22,24)
InChIKeyXRMWTWCEJHXURC-UHFFFAOYSA-N
MW361.35 g/mol
LogP2.39
Rot. Bonds6

About N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-2-(2-oxopyrrolidin-1-yl)acetamide

N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-2-(2-oxopyrrolidin-1-yl)acetamide (PubChem CID 42517243) has the molecular formula C18H17F2N3O3 and a molecular weight of 361.35 g/mol. Its IUPAC name is N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-2-(2-oxopyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-2-(2-oxopyrrolidin-1-yl)acetamide
PubChem CID42517243
Molecular FormulaC18H17F2N3O3
Molecular Weight361.35 g/mol
Exact Mass361.12
IUPAC NameN-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-2-(2-oxopyrrolidin-1-yl)acetamide
SMILESO=C(CN1CCCC1=O)NCc1cccnc1Oc1ccc(F)c(F)c1
InChIInChI=1S/C18H17F2N3O3/c19-14-6-5-13(9-15(14)20)26-18-12(3-1-7-21-18)10-22-16(24)11-23-8-2-4-17(23)25/h1,3,5-7,9H,2,4,8,10-11H2,(H,22,24)
InChIKeyXRMWTWCEJHXURC-UHFFFAOYSA-N
XLogP2.39
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.35
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-2-(2-oxopyrrolidin-1-yl)acetamide?
The IUPAC name of N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-2-(2-oxopyrrolidin-1-yl)acetamide (CID 42517243) is N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-2-(2-oxopyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-2-(2-oxopyrrolidin-1-yl)acetamide?
The canonical SMILES for N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-2-(2-oxopyrrolidin-1-yl)acetamide is O=C(CN1CCCC1=O)NCc1cccnc1Oc1ccc(F)c(F)c1.
What is the InChIKey of N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-2-(2-oxopyrrolidin-1-yl)acetamide?
The InChIKey is XRMWTWCEJHXURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N3O3/c19-14-6-5-13(9-15(14)20)26-18-12(3-1-7-21-18)10-22-16(24)11-23-8-2-4-17(23)25/h1,3,5-7,9H,2,4,8,10-11H2,(H,22,24).
What are the key properties of N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-2-(2-oxopyrrolidin-1-yl)acetamide?
N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-2-(2-oxopyrrolidin-1-yl)acetamide has a molecular weight of 361.35 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-2-(2-oxopyrrolidin-1-yl)acetamide is sourced from PubChem (CID 42517243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).