[2-[1-fluoro-2-oxo-2-(propylamino)ethyl]phenyl] dihydrogen phosphate

C11H15FNO5P — CID 158731813

IUPAC[2-[1-fluoro-2-oxo-2-(propylamino)ethyl]phenyl] dihydrogen phosphate
SMILESCCCNC(=O)C(F)c1ccccc1OP(=O)(O)O
InChIInChI=1S/C11H15FNO5P/c1-2-7-13-11(14)10(12)8-5-3-4-6-9(8)18-19(15,16)17/h3-6,10H,2,7H2,1H3,(H,13,14)(H2,15,16,17)
InChIKeyNOMCHGZESLDOEK-UHFFFAOYSA-N
MW291.21 g/mol
LogP1.69
Rot. Bonds6

About [2-[1-fluoro-2-oxo-2-(propylamino)ethyl]phenyl] dihydrogen phosphate

[2-[1-fluoro-2-oxo-2-(propylamino)ethyl]phenyl] dihydrogen phosphate (PubChem CID 158731813) has the molecular formula C11H15FNO5P and a molecular weight of 291.21 g/mol. Its IUPAC name is [2-[1-fluoro-2-oxo-2-(propylamino)ethyl]phenyl] dihydrogen phosphate.

Molecular Properties

Compound Name[2-[1-fluoro-2-oxo-2-(propylamino)ethyl]phenyl] dihydrogen phosphate
PubChem CID158731813
Molecular FormulaC11H15FNO5P
Molecular Weight291.21 g/mol
Exact Mass291.07
IUPAC Name[2-[1-fluoro-2-oxo-2-(propylamino)ethyl]phenyl] dihydrogen phosphate
SMILESCCCNC(=O)C(F)c1ccccc1OP(=O)(O)O
InChIInChI=1S/C11H15FNO5P/c1-2-7-13-11(14)10(12)8-5-3-4-6-9(8)18-19(15,16)17/h3-6,10H,2,7H2,1H3,(H,13,14)(H2,15,16,17)
InChIKeyNOMCHGZESLDOEK-UHFFFAOYSA-N
XLogP1.69
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.21
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-[1-fluoro-2-(methylamino)-2-oxoethyl]phenyl] dihydrogen phosphate
CID 138717416
[2-[2-(tert-butylamino)-1-fluoro-2-oxoethyl]phenyl] dihydrogen phosphate
CID 167060881
[2-(difluoromethyl)phenyl] dihydrogen phosphate
CID 69493795
[2-[2-[[4-(tert-butylamino)-2,4-dimethylpentan-2-yl]amino]-1-fluoro-2-oxoethyl]phenyl] dihydrogen phosphate
CID 138717532
[2-(1-fluoro-6,6-dimethyl-2-oxoheptyl)phenyl] dihydrogen phosphate
CID 147919149
2-(difluoromethoxy)-N-propylbenzamide
CID 60654909
2-[2-(1-hydroxyethyl)phenoxy]-N-propylacetamide
CID 43503995
[2,3-di(pentan-2-yl)phenyl] dihydrogen phosphate
CID 22497485
N-propyl-2-[2-[1-(propylamino)ethyl]phenoxy]acetamide
CID 43279683
(2-nonadecylphenyl) dihydrogen phosphate
CID 122612109
(2-nonylphenyl) dihydrogen phosphate
CID 14048761
(2-ethylphenyl) N-propylcarbamate
CID 127559161

Frequently Asked Questions

What is the IUPAC name of [2-[1-fluoro-2-oxo-2-(propylamino)ethyl]phenyl] dihydrogen phosphate?
The IUPAC name of [2-[1-fluoro-2-oxo-2-(propylamino)ethyl]phenyl] dihydrogen phosphate (CID 158731813) is [2-[1-fluoro-2-oxo-2-(propylamino)ethyl]phenyl] dihydrogen phosphate.
What is the SMILES notation for [2-[1-fluoro-2-oxo-2-(propylamino)ethyl]phenyl] dihydrogen phosphate?
The canonical SMILES for [2-[1-fluoro-2-oxo-2-(propylamino)ethyl]phenyl] dihydrogen phosphate is CCCNC(=O)C(F)c1ccccc1OP(=O)(O)O.
What is the InChIKey of [2-[1-fluoro-2-oxo-2-(propylamino)ethyl]phenyl] dihydrogen phosphate?
The InChIKey is NOMCHGZESLDOEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FNO5P/c1-2-7-13-11(14)10(12)8-5-3-4-6-9(8)18-19(15,16)17/h3-6,10H,2,7H2,1H3,(H,13,14)(H2,15,16,17).
What are the key properties of [2-[1-fluoro-2-oxo-2-(propylamino)ethyl]phenyl] dihydrogen phosphate?
[2-[1-fluoro-2-oxo-2-(propylamino)ethyl]phenyl] dihydrogen phosphate has a molecular weight of 291.21 g/mol, XLogP of 1.69, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-fluoro-2-oxo-2-(propylamino)ethyl]phenyl] dihydrogen phosphate is sourced from PubChem (CID 158731813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).