2-(cyclopropylamino)-4-(2-fluoro-5-methylphenoxy)butanamide

C14H19FN2O2 — CID 64853692

IUPAC2-(cyclopropylamino)-4-(2-fluoro-5-methylphenoxy)butanamide
SMILESCc1ccc(F)c(OCCC(NC2CC2)C(N)=O)c1
InChIInChI=1S/C14H19FN2O2/c1-9-2-5-11(15)13(8-9)19-7-6-12(14(16)18)17-10-3-4-10/h2,5,8,10,12,17H,3-4,6-7H2,1H3,(H2,16,18)
InChIKeyIZHBSEHBKJJUIA-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.51
Rot. Bonds7

About 2-(cyclopropylamino)-4-(2-fluoro-5-methylphenoxy)butanamide

2-(cyclopropylamino)-4-(2-fluoro-5-methylphenoxy)butanamide (PubChem CID 64853692) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is 2-(cyclopropylamino)-4-(2-fluoro-5-methylphenoxy)butanamide.

Molecular Properties

Compound Name2-(cyclopropylamino)-4-(2-fluoro-5-methylphenoxy)butanamide
PubChem CID64853692
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Name2-(cyclopropylamino)-4-(2-fluoro-5-methylphenoxy)butanamide
SMILESCc1ccc(F)c(OCCC(NC2CC2)C(N)=O)c1
InChIInChI=1S/C14H19FN2O2/c1-9-2-5-11(15)13(8-9)19-7-6-12(14(16)18)17-10-3-4-10/h2,5,8,10,12,17H,3-4,6-7H2,1H3,(H2,16,18)
InChIKeyIZHBSEHBKJJUIA-UHFFFAOYSA-N
XLogP1.51
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-4-(2-fluoro-5-methylphenoxy)butanamide?
The IUPAC name of 2-(cyclopropylamino)-4-(2-fluoro-5-methylphenoxy)butanamide (CID 64853692) is 2-(cyclopropylamino)-4-(2-fluoro-5-methylphenoxy)butanamide.
What is the SMILES notation for 2-(cyclopropylamino)-4-(2-fluoro-5-methylphenoxy)butanamide?
The canonical SMILES for 2-(cyclopropylamino)-4-(2-fluoro-5-methylphenoxy)butanamide is Cc1ccc(F)c(OCCC(NC2CC2)C(N)=O)c1.
What is the InChIKey of 2-(cyclopropylamino)-4-(2-fluoro-5-methylphenoxy)butanamide?
The InChIKey is IZHBSEHBKJJUIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-9-2-5-11(15)13(8-9)19-7-6-12(14(16)18)17-10-3-4-10/h2,5,8,10,12,17H,3-4,6-7H2,1H3,(H2,16,18).
What are the key properties of 2-(cyclopropylamino)-4-(2-fluoro-5-methylphenoxy)butanamide?
2-(cyclopropylamino)-4-(2-fluoro-5-methylphenoxy)butanamide has a molecular weight of 266.32 g/mol, XLogP of 1.51, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-4-(2-fluoro-5-methylphenoxy)butanamide is sourced from PubChem (CID 64853692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).