N-[3-(2-amino-5-fluorophenoxy)cyclopentyl]propanamide

C14H19FN2O2 — CID 123859040

IUPACN-[3-(2-amino-5-fluorophenoxy)cyclopentyl]propanamide
SMILESCCC(=O)NC1CCC(Oc2cc(F)ccc2N)C1
InChIInChI=1S/C14H19FN2O2/c1-2-14(18)17-10-4-5-11(8-10)19-13-7-9(15)3-6-12(13)16/h3,6-7,10-11H,2,4-5,8,16H2,1H3,(H,17,18)
InChIKeyMYYQEVWROORMHH-UHFFFAOYSA-N
MW266.32 g/mol
LogP2.23
Rot. Bonds4

About N-[3-(2-amino-5-fluorophenoxy)cyclopentyl]propanamide

N-[3-(2-amino-5-fluorophenoxy)cyclopentyl]propanamide (PubChem CID 123859040) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is N-[3-(2-amino-5-fluorophenoxy)cyclopentyl]propanamide.

Molecular Properties

Compound NameN-[3-(2-amino-5-fluorophenoxy)cyclopentyl]propanamide
PubChem CID123859040
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC NameN-[3-(2-amino-5-fluorophenoxy)cyclopentyl]propanamide
SMILESCCC(=O)NC1CCC(Oc2cc(F)ccc2N)C1
InChIInChI=1S/C14H19FN2O2/c1-2-14(18)17-10-4-5-11(8-10)19-13-7-9(15)3-6-12(13)16/h3,6-7,10-11H,2,4-5,8,16H2,1H3,(H,17,18)
InChIKeyMYYQEVWROORMHH-UHFFFAOYSA-N
XLogP2.23
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 52.23
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-(2-amino-5-fluorophenoxy)cyclobutyl]acetamide
CID 58421710
N-[4-(2-amino-5-fluorophenoxy)cyclohexyl]methanesulfonamide
CID 58421492
2-(4-aminocyclohexyl)oxy-4-fluoroaniline
CID 117095536
ethyl 4-(2-amino-4-fluoroanilino)cyclohexane-1-carboxylate
CID 67213320
1-O-tert-butyl 2-O-methyl 4-(2-amino-5-fluorophenoxy)pyrrolidine-1,2-dicarboxylate
CID 67396545
3-(5-fluoro-2-methylphenoxy)-N-methylcyclopentan-1-amine
CID 102981045
N-[4-(2-amino-5-fluorophenoxy)cyclohexyl]-N-methylmethanesulfonamide
CID 58421598
2-[2-(2-aminobutyl)-4-fluorophenoxy]-N-cyclopropylacetamide
CID 107701396
2-(2-amino-5-fluorophenyl)sulfanyl-N-cyclopropylacetamide
CID 79148805
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-[3-[5-fluoro-2-(hydroxyamino)phenoxy]cyclobutyl]acetamide
CID 88900130
3-(2-amino-5-fluorophenyl)sulfanyl-N-cyclopropylpropanamide
CID 79147919

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-amino-5-fluorophenoxy)cyclopentyl]propanamide?
The IUPAC name of N-[3-(2-amino-5-fluorophenoxy)cyclopentyl]propanamide (CID 123859040) is N-[3-(2-amino-5-fluorophenoxy)cyclopentyl]propanamide.
What is the SMILES notation for N-[3-(2-amino-5-fluorophenoxy)cyclopentyl]propanamide?
The canonical SMILES for N-[3-(2-amino-5-fluorophenoxy)cyclopentyl]propanamide is CCC(=O)NC1CCC(Oc2cc(F)ccc2N)C1.
What is the InChIKey of N-[3-(2-amino-5-fluorophenoxy)cyclopentyl]propanamide?
The InChIKey is MYYQEVWROORMHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-2-14(18)17-10-4-5-11(8-10)19-13-7-9(15)3-6-12(13)16/h3,6-7,10-11H,2,4-5,8,16H2,1H3,(H,17,18).
What are the key properties of N-[3-(2-amino-5-fluorophenoxy)cyclopentyl]propanamide?
N-[3-(2-amino-5-fluorophenoxy)cyclopentyl]propanamide has a molecular weight of 266.32 g/mol, XLogP of 2.23, 4 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)cyclopentyl]propanamide is sourced from PubChem (CID 123859040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).