N-(3-fluoro-4-hydroxyphenyl)-2-(prop-2-enylamino)acetamide

C11H13FN2O2 — CID 79278789

IUPACN-(3-fluoro-4-hydroxyphenyl)-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)Nc1ccc(O)c(F)c1
InChIInChI=1S/C11H13FN2O2/c1-2-5-13-7-11(16)14-8-3-4-10(15)9(12)6-8/h2-4,6,13,15H,1,5,7H2,(H,14,16)
InChIKeyRWIGOABRHSCQKD-UHFFFAOYSA-N
MW224.23 g/mol
LogP1.25
Rot. Bonds5

About N-(3-fluoro-4-hydroxyphenyl)-2-(prop-2-enylamino)acetamide

N-(3-fluoro-4-hydroxyphenyl)-2-(prop-2-enylamino)acetamide (PubChem CID 79278789) has the molecular formula C11H13FN2O2 and a molecular weight of 224.23 g/mol. Its IUPAC name is N-(3-fluoro-4-hydroxyphenyl)-2-(prop-2-enylamino)acetamide.

Molecular Properties

Compound NameN-(3-fluoro-4-hydroxyphenyl)-2-(prop-2-enylamino)acetamide
PubChem CID79278789
Molecular FormulaC11H13FN2O2
Molecular Weight224.23 g/mol
Exact Mass224.10
IUPAC NameN-(3-fluoro-4-hydroxyphenyl)-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)Nc1ccc(O)c(F)c1
InChIInChI=1S/C11H13FN2O2/c1-2-5-13-7-11(16)14-8-3-4-10(15)9(12)6-8/h2-4,6,13,15H,1,5,7H2,(H,14,16)
InChIKeyRWIGOABRHSCQKD-UHFFFAOYSA-N
XLogP1.25
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(4-chloro-3-fluorophenyl)-2-(prop-2-enylamino)acetamide
CID 79285958
N-(4-bromo-3-fluorophenyl)-2-(prop-2-enylamino)acetamide
CID 79279349
2-fluoro-5-[[2-(prop-2-enylamino)acetyl]amino]benzoic acid
CID 79285678
methyl 2-fluoro-5-[[2-(prop-2-enylamino)acetyl]amino]benzoate
CID 79286322
N-(3-fluoro-4-hydroxyphenyl)-2-(prop-2-ynylamino)acetamide
CID 79271448
N-(4-methyl-3-sulfamoylphenyl)-2-(prop-2-enylamino)acetamide
CID 78912240
3-(3-fluoro-4-hydroxyanilino)-3-oxopropanoic acid
CID 64782793
N-(4-acetamido-3-methylphenyl)-2-(prop-2-enylamino)acetamide
CID 79285856
N-(3-fluoro-4-hydroxyphenyl)-2-methylsulfanylacetamide
CID 64780305
(E)-3-[4-[[2-(prop-2-enylamino)acetyl]amino]phenyl]prop-2-enoic acid
CID 115342388
N-(4-methoxy-3-methylphenyl)-2-(prop-2-enylamino)acetamide
CID 79280189
N-(3-acetylphenyl)-2-(prop-2-enylamino)acetamide
CID 78908291

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-hydroxyphenyl)-2-(prop-2-enylamino)acetamide?
The IUPAC name of N-(3-fluoro-4-hydroxyphenyl)-2-(prop-2-enylamino)acetamide (CID 79278789) is N-(3-fluoro-4-hydroxyphenyl)-2-(prop-2-enylamino)acetamide.
What is the SMILES notation for N-(3-fluoro-4-hydroxyphenyl)-2-(prop-2-enylamino)acetamide?
The canonical SMILES for N-(3-fluoro-4-hydroxyphenyl)-2-(prop-2-enylamino)acetamide is C=CCNCC(=O)Nc1ccc(O)c(F)c1.
What is the InChIKey of N-(3-fluoro-4-hydroxyphenyl)-2-(prop-2-enylamino)acetamide?
The InChIKey is RWIGOABRHSCQKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O2/c1-2-5-13-7-11(16)14-8-3-4-10(15)9(12)6-8/h2-4,6,13,15H,1,5,7H2,(H,14,16).
What are the key properties of N-(3-fluoro-4-hydroxyphenyl)-2-(prop-2-enylamino)acetamide?
N-(3-fluoro-4-hydroxyphenyl)-2-(prop-2-enylamino)acetamide has a molecular weight of 224.23 g/mol, XLogP of 1.25, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-hydroxyphenyl)-2-(prop-2-enylamino)acetamide is sourced from PubChem (CID 79278789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).