N-[1-[6-[(4-fluorophenyl)methoxy]-3-pyridinyl]-5-oxopyrrolidin-3-yl]acetamide

C18H18FN3O3 — CID 11724978

IUPACN-[1-[6-[(4-fluorophenyl)methoxy]-3-pyridinyl]-5-oxopyrrolidin-3-yl]acetamide
SMILESCC(=O)NC1CC(=O)N(c2ccc(OCc3ccc(F)cc3)nc2)C1
InChIInChI=1S/C18H18FN3O3/c1-12(23)21-15-8-18(24)22(10-15)16-6-7-17(20-9-16)25-11-13-2-4-14(19)5-3-13/h2-7,9,15H,8,10-11H2,1H3,(H,21,23)
InChIKeyYWFCMHAHCDMDDR-UHFFFAOYSA-N
MW343.36 g/mol
LogP2.04
Rot. Bonds5

About N-[1-[6-[(4-fluorophenyl)methoxy]-3-pyridinyl]-5-oxopyrrolidin-3-yl]acetamide

N-[1-[6-[(4-fluorophenyl)methoxy]-3-pyridinyl]-5-oxopyrrolidin-3-yl]acetamide (PubChem CID 11724978) has the molecular formula C18H18FN3O3 and a molecular weight of 343.36 g/mol. Its IUPAC name is N-[1-[6-[(4-fluorophenyl)methoxy]-3-pyridinyl]-5-oxopyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-[6-[(4-fluorophenyl)methoxy]-3-pyridinyl]-5-oxopyrrolidin-3-yl]acetamide
PubChem CID11724978
Molecular FormulaC18H18FN3O3
Molecular Weight343.36 g/mol
Exact Mass343.13
IUPAC NameN-[1-[6-[(4-fluorophenyl)methoxy]-3-pyridinyl]-5-oxopyrrolidin-3-yl]acetamide
SMILESCC(=O)NC1CC(=O)N(c2ccc(OCc3ccc(F)cc3)nc2)C1
InChIInChI=1S/C18H18FN3O3/c1-12(23)21-15-8-18(24)22(10-15)16-6-7-17(20-9-16)25-11-13-2-4-14(19)5-3-13/h2-7,9,15H,8,10-11H2,1H3,(H,21,23)
InChIKeyYWFCMHAHCDMDDR-UHFFFAOYSA-N
XLogP2.04
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[6-[(4-fluorophenyl)methoxy]-3-pyridinyl]-5-oxopyrrolidin-3-yl]acetamide?
The IUPAC name of N-[1-[6-[(4-fluorophenyl)methoxy]-3-pyridinyl]-5-oxopyrrolidin-3-yl]acetamide (CID 11724978) is N-[1-[6-[(4-fluorophenyl)methoxy]-3-pyridinyl]-5-oxopyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[1-[6-[(4-fluorophenyl)methoxy]-3-pyridinyl]-5-oxopyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[1-[6-[(4-fluorophenyl)methoxy]-3-pyridinyl]-5-oxopyrrolidin-3-yl]acetamide is CC(=O)NC1CC(=O)N(c2ccc(OCc3ccc(F)cc3)nc2)C1.
What is the InChIKey of N-[1-[6-[(4-fluorophenyl)methoxy]-3-pyridinyl]-5-oxopyrrolidin-3-yl]acetamide?
The InChIKey is YWFCMHAHCDMDDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O3/c1-12(23)21-15-8-18(24)22(10-15)16-6-7-17(20-9-16)25-11-13-2-4-14(19)5-3-13/h2-7,9,15H,8,10-11H2,1H3,(H,21,23).
What are the key properties of N-[1-[6-[(4-fluorophenyl)methoxy]-3-pyridinyl]-5-oxopyrrolidin-3-yl]acetamide?
N-[1-[6-[(4-fluorophenyl)methoxy]-3-pyridinyl]-5-oxopyrrolidin-3-yl]acetamide has a molecular weight of 343.36 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[6-[(4-fluorophenyl)methoxy]-3-pyridinyl]-5-oxopyrrolidin-3-yl]acetamide is sourced from PubChem (CID 11724978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).