[1-[4-[(3-fluorophenyl)methoxy]phenyl]-2-oxopyrrolidin-3-yl]carbamic acid

C18H17FN2O4 — CID 23614754

IUPAC[1-[4-[(3-fluorophenyl)methoxy]phenyl]-2-oxopyrrolidin-3-yl]carbamic acid
SMILESO=C(O)NC1CCN(c2ccc(OCc3cccc(F)c3)cc2)C1=O
InChIInChI=1S/C18H17FN2O4/c19-13-3-1-2-12(10-13)11-25-15-6-4-14(5-7-15)21-9-8-16(17(21)22)20-18(23)24/h1-7,10,16,20H,8-9,11H2,(H,23,24)
InChIKeyUEDXGASRBBBLQN-UHFFFAOYSA-N
MW344.34 g/mol
LogP2.78
Rot. Bonds5

About [1-[4-[(3-fluorophenyl)methoxy]phenyl]-2-oxopyrrolidin-3-yl]carbamic acid

[1-[4-[(3-fluorophenyl)methoxy]phenyl]-2-oxopyrrolidin-3-yl]carbamic acid (PubChem CID 23614754) has the molecular formula C18H17FN2O4 and a molecular weight of 344.34 g/mol. Its IUPAC name is [1-[4-[(3-fluorophenyl)methoxy]phenyl]-2-oxopyrrolidin-3-yl]carbamic acid.

Molecular Properties

Compound Name[1-[4-[(3-fluorophenyl)methoxy]phenyl]-2-oxopyrrolidin-3-yl]carbamic acid
PubChem CID23614754
Molecular FormulaC18H17FN2O4
Molecular Weight344.34 g/mol
Exact Mass344.12
IUPAC Name[1-[4-[(3-fluorophenyl)methoxy]phenyl]-2-oxopyrrolidin-3-yl]carbamic acid
SMILESO=C(O)NC1CCN(c2ccc(OCc3cccc(F)c3)cc2)C1=O
InChIInChI=1S/C18H17FN2O4/c19-13-3-1-2-12(10-13)11-25-15-6-4-14(5-7-15)21-9-8-16(17(21)22)20-18(23)24/h1-7,10,16,20H,8-9,11H2,(H,23,24)
InChIKeyUEDXGASRBBBLQN-UHFFFAOYSA-N
XLogP2.78
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.34
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[4-[(3-fluorophenyl)methoxy]phenyl]-2-oxopyrrolidin-3-yl]carbamic acid?
The IUPAC name of [1-[4-[(3-fluorophenyl)methoxy]phenyl]-2-oxopyrrolidin-3-yl]carbamic acid (CID 23614754) is [1-[4-[(3-fluorophenyl)methoxy]phenyl]-2-oxopyrrolidin-3-yl]carbamic acid.
What is the SMILES notation for [1-[4-[(3-fluorophenyl)methoxy]phenyl]-2-oxopyrrolidin-3-yl]carbamic acid?
The canonical SMILES for [1-[4-[(3-fluorophenyl)methoxy]phenyl]-2-oxopyrrolidin-3-yl]carbamic acid is O=C(O)NC1CCN(c2ccc(OCc3cccc(F)c3)cc2)C1=O.
What is the InChIKey of [1-[4-[(3-fluorophenyl)methoxy]phenyl]-2-oxopyrrolidin-3-yl]carbamic acid?
The InChIKey is UEDXGASRBBBLQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O4/c19-13-3-1-2-12(10-13)11-25-15-6-4-14(5-7-15)21-9-8-16(17(21)22)20-18(23)24/h1-7,10,16,20H,8-9,11H2,(H,23,24).
What are the key properties of [1-[4-[(3-fluorophenyl)methoxy]phenyl]-2-oxopyrrolidin-3-yl]carbamic acid?
[1-[4-[(3-fluorophenyl)methoxy]phenyl]-2-oxopyrrolidin-3-yl]carbamic acid has a molecular weight of 344.34 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-[(3-fluorophenyl)methoxy]phenyl]-2-oxopyrrolidin-3-yl]carbamic acid is sourced from PubChem (CID 23614754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).