4-amino-N-[5-fluoro-2-(2-methoxyethoxy)phenyl]pentanamide

C14H21FN2O3 — CID 120561554

IUPAC4-amino-N-[5-fluoro-2-(2-methoxyethoxy)phenyl]pentanamide
SMILESCOCCOc1ccc(F)cc1NC(=O)CCC(C)N
InChIInChI=1S/C14H21FN2O3/c1-10(16)3-6-14(18)17-12-9-11(15)4-5-13(12)20-8-7-19-2/h4-5,9-10H,3,6-8,16H2,1-2H3,(H,17,18)
InChIKeyVWYXUINXHUQJOU-UHFFFAOYSA-N
MW284.33 g/mol
LogP1.92
Rot. Bonds8

About 4-amino-N-[5-fluoro-2-(2-methoxyethoxy)phenyl]pentanamide

4-amino-N-[5-fluoro-2-(2-methoxyethoxy)phenyl]pentanamide (PubChem CID 120561554) has the molecular formula C14H21FN2O3 and a molecular weight of 284.33 g/mol. Its IUPAC name is 4-amino-N-[5-fluoro-2-(2-methoxyethoxy)phenyl]pentanamide.

Molecular Properties

Compound Name4-amino-N-[5-fluoro-2-(2-methoxyethoxy)phenyl]pentanamide
PubChem CID120561554
Molecular FormulaC14H21FN2O3
Molecular Weight284.33 g/mol
Exact Mass284.15
IUPAC Name4-amino-N-[5-fluoro-2-(2-methoxyethoxy)phenyl]pentanamide
SMILESCOCCOc1ccc(F)cc1NC(=O)CCC(C)N
InChIInChI=1S/C14H21FN2O3/c1-10(16)3-6-14(18)17-12-9-11(15)4-5-13(12)20-8-7-19-2/h4-5,9-10H,3,6-8,16H2,1-2H3,(H,17,18)
InChIKeyVWYXUINXHUQJOU-UHFFFAOYSA-N
XLogP1.92
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[5-fluoro-2-(2-methoxyethoxy)phenyl]pentanamide?
The IUPAC name of 4-amino-N-[5-fluoro-2-(2-methoxyethoxy)phenyl]pentanamide (CID 120561554) is 4-amino-N-[5-fluoro-2-(2-methoxyethoxy)phenyl]pentanamide.
What is the SMILES notation for 4-amino-N-[5-fluoro-2-(2-methoxyethoxy)phenyl]pentanamide?
The canonical SMILES for 4-amino-N-[5-fluoro-2-(2-methoxyethoxy)phenyl]pentanamide is COCCOc1ccc(F)cc1NC(=O)CCC(C)N.
What is the InChIKey of 4-amino-N-[5-fluoro-2-(2-methoxyethoxy)phenyl]pentanamide?
The InChIKey is VWYXUINXHUQJOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O3/c1-10(16)3-6-14(18)17-12-9-11(15)4-5-13(12)20-8-7-19-2/h4-5,9-10H,3,6-8,16H2,1-2H3,(H,17,18).
What are the key properties of 4-amino-N-[5-fluoro-2-(2-methoxyethoxy)phenyl]pentanamide?
4-amino-N-[5-fluoro-2-(2-methoxyethoxy)phenyl]pentanamide has a molecular weight of 284.33 g/mol, XLogP of 1.92, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[5-fluoro-2-(2-methoxyethoxy)phenyl]pentanamide is sourced from PubChem (CID 120561554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).