N-(4-fluorophenyl)-2-(prop-2-ynylamino)acetamide

C11H11FN2O — CID 28563124

IUPACN-(4-fluorophenyl)-2-(prop-2-ynylamino)acetamide
SMILESC#CCNCC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C11H11FN2O/c1-2-7-13-8-11(15)14-10-5-3-9(12)4-6-10/h1,3-6,13H,7-8H2,(H,14,15)
InChIKeyAIXUWCLBSUTXFE-UHFFFAOYSA-N
MW206.22 g/mol
LogP0.99
Rot. Bonds4

About N-(4-fluorophenyl)-2-(prop-2-ynylamino)acetamide

N-(4-fluorophenyl)-2-(prop-2-ynylamino)acetamide (PubChem CID 28563124) has the molecular formula C11H11FN2O and a molecular weight of 206.22 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-(prop-2-ynylamino)acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-(prop-2-ynylamino)acetamide
PubChem CID28563124
Molecular FormulaC11H11FN2O
Molecular Weight206.22 g/mol
Exact Mass206.09
IUPAC NameN-(4-fluorophenyl)-2-(prop-2-ynylamino)acetamide
SMILESC#CCNCC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C11H11FN2O/c1-2-7-13-8-11(15)14-10-5-3-9(12)4-6-10/h1,3-6,13H,7-8H2,(H,14,15)
InChIKeyAIXUWCLBSUTXFE-UHFFFAOYSA-N
XLogP0.99
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-acetamidophenyl)-2-(prop-2-ynylamino)acetamide
CID 78908561
N-(3-fluoro-4-hydroxyphenyl)-2-(prop-2-ynylamino)acetamide
CID 79271448
2-(prop-2-ynylamino)-N-[4-(trifluoromethylsulfanyl)phenyl]acetamide
CID 79286741
N-(4-fluorophenyl)-2-(propylamino)acetamide
CID 28586343
2-fluoro-5-[[2-(prop-2-ynylamino)acetyl]amino]benzoic acid
CID 79286925
N,N-dimethyl-2-[4-[[2-(prop-2-ynylamino)acetyl]amino]phenyl]acetamide
CID 79286921
N-(4-piperidin-1-ylphenyl)-2-(prop-2-ynylamino)acetamide
CID 78908637
N-(2-chloro-4-fluorophenyl)-2-(prop-2-ynylamino)acetamide
CID 78908681
N,N-diethyl-4-[[2-(prop-2-ynylamino)acetyl]amino]benzamide
CID 78908465
N-(4-fluoro-2-iodophenyl)-2-(prop-2-ynylamino)acetamide
CID 79767023
N-(4-fluorophenyl)pent-4-ynamide
CID 72544109
N-(4-fluorophenyl)-2-(2-hydroxypropylamino)acetamide
CID 43389711

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-(prop-2-ynylamino)acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-(prop-2-ynylamino)acetamide (CID 28563124) is N-(4-fluorophenyl)-2-(prop-2-ynylamino)acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-(prop-2-ynylamino)acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-(prop-2-ynylamino)acetamide is C#CCNCC(=O)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-(prop-2-ynylamino)acetamide?
The InChIKey is AIXUWCLBSUTXFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O/c1-2-7-13-8-11(15)14-10-5-3-9(12)4-6-10/h1,3-6,13H,7-8H2,(H,14,15).
What are the key properties of N-(4-fluorophenyl)-2-(prop-2-ynylamino)acetamide?
N-(4-fluorophenyl)-2-(prop-2-ynylamino)acetamide has a molecular weight of 206.22 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-(prop-2-ynylamino)acetamide is sourced from PubChem (CID 28563124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).