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

C11H11FN2O2 — CID 79271448

IUPACN-(3-fluoro-4-hydroxyphenyl)-2-(prop-2-ynylamino)acetamide
SMILESC#CCNCC(=O)Nc1ccc(O)c(F)c1
InChIInChI=1S/C11H11FN2O2/c1-2-5-13-7-11(16)14-8-3-4-10(15)9(12)6-8/h1,3-4,6,13,15H,5,7H2,(H,14,16)
InChIKeyFDXBKZQLNGXVPG-UHFFFAOYSA-N
MW222.22 g/mol
LogP0.69
Rot. Bonds4

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

N-(3-fluoro-4-hydroxyphenyl)-2-(prop-2-ynylamino)acetamide (PubChem CID 79271448) has the molecular formula C11H11FN2O2 and a molecular weight of 222.22 g/mol. Its IUPAC name is N-(3-fluoro-4-hydroxyphenyl)-2-(prop-2-ynylamino)acetamide.

Molecular Properties

Compound NameN-(3-fluoro-4-hydroxyphenyl)-2-(prop-2-ynylamino)acetamide
PubChem CID79271448
Molecular FormulaC11H11FN2O2
Molecular Weight222.22 g/mol
Exact Mass222.08
IUPAC NameN-(3-fluoro-4-hydroxyphenyl)-2-(prop-2-ynylamino)acetamide
SMILESC#CCNCC(=O)Nc1ccc(O)c(F)c1
InChIInChI=1S/C11H11FN2O2/c1-2-5-13-7-11(16)14-8-3-4-10(15)9(12)6-8/h1,3-4,6,13,15H,5,7H2,(H,14,16)
InChIKeyFDXBKZQLNGXVPG-UHFFFAOYSA-N
XLogP0.69
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.22
LogP ≤ 50.69
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': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-5-[[2-(prop-2-ynylamino)acetyl]amino]benzoic acid
CID 79286925
N-(4-fluorophenyl)-2-(prop-2-ynylamino)acetamide
CID 28563124
N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-2-(prop-2-ynylamino)acetamide
CID 79286665
N-(3-fluoro-4-hydroxyphenyl)-2-(prop-2-enylamino)acetamide
CID 79278789
N-(4-acetamidophenyl)-2-(prop-2-ynylamino)acetamide
CID 78908561
N-(3-fluoro-4-hydroxyphenyl)-2-methylsulfanylacetamide
CID 64780305
N-[3-[[2-(prop-2-ynylamino)acetyl]amino]phenyl]propanamide
CID 79287328
3-(3-fluoro-4-hydroxyanilino)-3-oxopropanoic acid
CID 64782793
N-(3-fluoro-4-hydroxyphenyl)acetamide
CID 3014069
N-(4-bromo-3-methoxyphenyl)-2-(prop-2-ynylamino)acetamide
CID 82867637
N-(2,6-difluoro-3-methylphenyl)-2-(prop-2-ynylamino)acetamide
CID 82817941
2-(prop-2-ynylamino)-N-[4-(trifluoromethylsulfanyl)phenyl]acetamide
CID 79286741

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-hydroxyphenyl)-2-(prop-2-ynylamino)acetamide?
The IUPAC name of N-(3-fluoro-4-hydroxyphenyl)-2-(prop-2-ynylamino)acetamide (CID 79271448) is N-(3-fluoro-4-hydroxyphenyl)-2-(prop-2-ynylamino)acetamide.
What is the SMILES notation for N-(3-fluoro-4-hydroxyphenyl)-2-(prop-2-ynylamino)acetamide?
The canonical SMILES for N-(3-fluoro-4-hydroxyphenyl)-2-(prop-2-ynylamino)acetamide is C#CCNCC(=O)Nc1ccc(O)c(F)c1.
What is the InChIKey of N-(3-fluoro-4-hydroxyphenyl)-2-(prop-2-ynylamino)acetamide?
The InChIKey is FDXBKZQLNGXVPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O2/c1-2-5-13-7-11(16)14-8-3-4-10(15)9(12)6-8/h1,3-4,6,13,15H,5,7H2,(H,14,16).
What are the key properties of N-(3-fluoro-4-hydroxyphenyl)-2-(prop-2-ynylamino)acetamide?
N-(3-fluoro-4-hydroxyphenyl)-2-(prop-2-ynylamino)acetamide has a molecular weight of 222.22 g/mol, XLogP of 0.69, 4 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-ynylamino)acetamide is sourced from PubChem (CID 79271448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).