N-[3-(2-amino-5-fluorophenoxy)cyclobutyl]acetamide

C12H15FN2O2 — CID 58421710

IUPACN-[3-(2-amino-5-fluorophenoxy)cyclobutyl]acetamide
SMILESCC(=O)NC1CC(Oc2cc(F)ccc2N)C1
InChIInChI=1S/C12H15FN2O2/c1-7(16)15-9-5-10(6-9)17-12-4-8(13)2-3-11(12)14/h2-4,9-10H,5-6,14H2,1H3,(H,15,16)
InChIKeyKNYLNEDTTGJZQX-UHFFFAOYSA-N
MW238.26 g/mol
LogP1.45
Rot. Bonds3

About N-[3-(2-amino-5-fluorophenoxy)cyclobutyl]acetamide

N-[3-(2-amino-5-fluorophenoxy)cyclobutyl]acetamide (PubChem CID 58421710) has the molecular formula C12H15FN2O2 and a molecular weight of 238.26 g/mol. Its IUPAC name is N-[3-(2-amino-5-fluorophenoxy)cyclobutyl]acetamide.

Molecular Properties

Compound NameN-[3-(2-amino-5-fluorophenoxy)cyclobutyl]acetamide
PubChem CID58421710
Molecular FormulaC12H15FN2O2
Molecular Weight238.26 g/mol
Exact Mass238.11
IUPAC NameN-[3-(2-amino-5-fluorophenoxy)cyclobutyl]acetamide
SMILESCC(=O)NC1CC(Oc2cc(F)ccc2N)C1
InChIInChI=1S/C12H15FN2O2/c1-7(16)15-9-5-10(6-9)17-12-4-8(13)2-3-11(12)14/h2-4,9-10H,5-6,14H2,1H3,(H,15,16)
InChIKeyKNYLNEDTTGJZQX-UHFFFAOYSA-N
XLogP1.45
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[5-fluoro-2-(hydroxyamino)phenoxy]cyclobutyl]acetamide
CID 88900130
N-[3-(2-amino-5-fluorophenoxy)cyclopentyl]propanamide
CID 123859040
2-[[(3aR,6aS)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-5-yl]oxy]-4-fluoroaniline
CID 58421640
N-[4-(2-amino-5-fluorophenoxy)cyclohexyl]methanesulfonamide
CID 58421492
N-[4-(5-fluoro-2-nitrophenoxy)cyclohexyl]acetamide
CID 58421485
1-O-tert-butyl 2-O-methyl 4-(2-amino-5-fluorophenoxy)pyrrolidine-1,2-dicarboxylate
CID 67396545
2-(4-aminocyclohexyl)oxy-4-fluoroaniline
CID 117095536
3-(2,5-difluorophenoxy)-N-methylcyclobutan-1-amine
CID 66351796
tert-butyl N-[3-[2-[(1S)-1-aminoethyl]-4-fluorophenoxy]cyclobutyl]carbamate
CID 153356613
[3-(4-fluorophenoxy)cyclobutyl]carbamic acid
CID 166790359
N-[4-(2-amino-5-fluorophenoxy)cyclohexyl]-N-methylmethanesulfonamide
CID 58421598
[3-(3-fluoro-2-methylphenoxy)cyclobutyl]carbamic acid
CID 67813271

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-amino-5-fluorophenoxy)cyclobutyl]acetamide?
The IUPAC name of N-[3-(2-amino-5-fluorophenoxy)cyclobutyl]acetamide (CID 58421710) is N-[3-(2-amino-5-fluorophenoxy)cyclobutyl]acetamide.
What is the SMILES notation for N-[3-(2-amino-5-fluorophenoxy)cyclobutyl]acetamide?
The canonical SMILES for N-[3-(2-amino-5-fluorophenoxy)cyclobutyl]acetamide is CC(=O)NC1CC(Oc2cc(F)ccc2N)C1.
What is the InChIKey of N-[3-(2-amino-5-fluorophenoxy)cyclobutyl]acetamide?
The InChIKey is KNYLNEDTTGJZQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O2/c1-7(16)15-9-5-10(6-9)17-12-4-8(13)2-3-11(12)14/h2-4,9-10H,5-6,14H2,1H3,(H,15,16).
What are the key properties of N-[3-(2-amino-5-fluorophenoxy)cyclobutyl]acetamide?
N-[3-(2-amino-5-fluorophenoxy)cyclobutyl]acetamide has a molecular weight of 238.26 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-amino-5-fluorophenoxy)cyclobutyl]acetamide is sourced from PubChem (CID 58421710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).