2-[5-fluoro-2-[1-(propylamino)ethyl]phenoxy]-N-prop-2-ynylacetamide

C16H21FN2O2 — CID 63066740

IUPAC2-[5-fluoro-2-[1-(propylamino)ethyl]phenoxy]-N-prop-2-ynylacetamide
SMILESC#CCNC(=O)COc1cc(F)ccc1C(C)NCCC
InChIInChI=1S/C16H21FN2O2/c1-4-8-18-12(3)14-7-6-13(17)10-15(14)21-11-16(20)19-9-5-2/h2,6-7,10,12,18H,4,8-9,11H2,1,3H3,(H,19,20)
InChIKeyGBBJVMMIGDPQDK-UHFFFAOYSA-N
MW292.35 g/mol
LogP2.01
Rot. Bonds8

About 2-[5-fluoro-2-[1-(propylamino)ethyl]phenoxy]-N-prop-2-ynylacetamide

2-[5-fluoro-2-[1-(propylamino)ethyl]phenoxy]-N-prop-2-ynylacetamide (PubChem CID 63066740) has the molecular formula C16H21FN2O2 and a molecular weight of 292.35 g/mol. Its IUPAC name is 2-[5-fluoro-2-[1-(propylamino)ethyl]phenoxy]-N-prop-2-ynylacetamide.

Molecular Properties

Compound Name2-[5-fluoro-2-[1-(propylamino)ethyl]phenoxy]-N-prop-2-ynylacetamide
PubChem CID63066740
Molecular FormulaC16H21FN2O2
Molecular Weight292.35 g/mol
Exact Mass292.16
IUPAC Name2-[5-fluoro-2-[1-(propylamino)ethyl]phenoxy]-N-prop-2-ynylacetamide
SMILESC#CCNC(=O)COc1cc(F)ccc1C(C)NCCC
InChIInChI=1S/C16H21FN2O2/c1-4-8-18-12(3)14-7-6-13(17)10-15(14)21-11-16(20)19-9-5-2/h2,6-7,10,12,18H,4,8-9,11H2,1,3H3,(H,19,20)
InChIKeyGBBJVMMIGDPQDK-UHFFFAOYSA-N
XLogP2.01
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[5-fluoro-2-[(1S)-1-hydroxyethyl]phenoxy]-N-prop-2-ynylacetamide
CID 78932178
2-[5-fluoro-2-[1-(propylamino)ethyl]phenoxy]-N,N-dimethylacetamide
CID 63066754
2-[5-methyl-2-[1-(propylamino)ethyl]phenoxy]-N-propylacetamide
CID 63640126
N-(cyanomethyl)-2-[5-methyl-2-[1-(propylamino)ethyl]phenoxy]acetamide
CID 63640138
N-propyl-2-[2-[1-(propylamino)ethyl]phenoxy]acetamide
CID 43279683
N-[1-(4-fluoro-2-methoxyphenyl)ethyl]propan-1-amine
CID 63066757
methyl 2-[2-[1-(ethylamino)ethyl]-5-fluorophenoxy]acetate
CID 63066050
2-(2-bromo-4-fluorophenoxy)-N-prop-2-ynylacetamide
CID 18109952
N-[1-[4-fluoro-2-(2-methylbutoxy)phenyl]ethyl]propan-1-amine
CID 55192696
N-[1-[4-fluoro-2-(2-methylpentoxy)phenyl]ethyl]propan-1-amine
CID 63485327
2-[4-fluoro-2-(hydroxymethyl)phenoxy]-N-prop-2-ynylacetamide
CID 107698541
2-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]-N-(cyanomethyl)acetamide
CID 78935744

Frequently Asked Questions

What is the IUPAC name of 2-[5-fluoro-2-[1-(propylamino)ethyl]phenoxy]-N-prop-2-ynylacetamide?
The IUPAC name of 2-[5-fluoro-2-[1-(propylamino)ethyl]phenoxy]-N-prop-2-ynylacetamide (CID 63066740) is 2-[5-fluoro-2-[1-(propylamino)ethyl]phenoxy]-N-prop-2-ynylacetamide.
What is the SMILES notation for 2-[5-fluoro-2-[1-(propylamino)ethyl]phenoxy]-N-prop-2-ynylacetamide?
The canonical SMILES for 2-[5-fluoro-2-[1-(propylamino)ethyl]phenoxy]-N-prop-2-ynylacetamide is C#CCNC(=O)COc1cc(F)ccc1C(C)NCCC.
What is the InChIKey of 2-[5-fluoro-2-[1-(propylamino)ethyl]phenoxy]-N-prop-2-ynylacetamide?
The InChIKey is GBBJVMMIGDPQDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O2/c1-4-8-18-12(3)14-7-6-13(17)10-15(14)21-11-16(20)19-9-5-2/h2,6-7,10,12,18H,4,8-9,11H2,1,3H3,(H,19,20).
What are the key properties of 2-[5-fluoro-2-[1-(propylamino)ethyl]phenoxy]-N-prop-2-ynylacetamide?
2-[5-fluoro-2-[1-(propylamino)ethyl]phenoxy]-N-prop-2-ynylacetamide has a molecular weight of 292.35 g/mol, XLogP of 2.01, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-fluoro-2-[1-(propylamino)ethyl]phenoxy]-N-prop-2-ynylacetamide is sourced from PubChem (CID 63066740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).