3-(4-fluorophenyl)-3-methoxybutanamide

C11H14FNO2 — CID 90728893

IUPAC3-(4-fluorophenyl)-3-methoxybutanamide
SMILESCOC(C)(CC(N)=O)c1ccc(F)cc1
InChIInChI=1S/C11H14FNO2/c1-11(15-2,7-10(13)14)8-3-5-9(12)6-4-8/h3-6H,7H2,1-2H3,(H2,13,14)
InChIKeyIVVPYTXEVPVUCL-UHFFFAOYSA-N
MW211.24 g/mol
LogP1.56
Rot. Bonds4

About 3-(4-fluorophenyl)-3-methoxybutanamide

3-(4-fluorophenyl)-3-methoxybutanamide (PubChem CID 90728893) has the molecular formula C11H14FNO2 and a molecular weight of 211.24 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-3-methoxybutanamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-3-methoxybutanamide
PubChem CID90728893
Molecular FormulaC11H14FNO2
Molecular Weight211.24 g/mol
Exact Mass211.10
IUPAC Name3-(4-fluorophenyl)-3-methoxybutanamide
SMILESCOC(C)(CC(N)=O)c1ccc(F)cc1
InChIInChI=1S/C11H14FNO2/c1-11(15-2,7-10(13)14)8-3-5-9(12)6-4-8/h3-6H,7H2,1-2H3,(H2,13,14)
InChIKeyIVVPYTXEVPVUCL-UHFFFAOYSA-N
XLogP1.56
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-3-methoxybutanamide?
The IUPAC name of 3-(4-fluorophenyl)-3-methoxybutanamide (CID 90728893) is 3-(4-fluorophenyl)-3-methoxybutanamide.
What is the SMILES notation for 3-(4-fluorophenyl)-3-methoxybutanamide?
The canonical SMILES for 3-(4-fluorophenyl)-3-methoxybutanamide is COC(C)(CC(N)=O)c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-3-methoxybutanamide?
The InChIKey is IVVPYTXEVPVUCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO2/c1-11(15-2,7-10(13)14)8-3-5-9(12)6-4-8/h3-6H,7H2,1-2H3,(H2,13,14).
What are the key properties of 3-(4-fluorophenyl)-3-methoxybutanamide?
3-(4-fluorophenyl)-3-methoxybutanamide has a molecular weight of 211.24 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-3-methoxybutanamide is sourced from PubChem (CID 90728893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).