2-acetamido-N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]acetamide

C13H13FN2O3 — CID 54922713

IUPAC2-acetamido-N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]acetamide
SMILESCC(=O)NCC(=O)Nc1ccc(C#CCO)cc1F
InChIInChI=1S/C13H13FN2O3/c1-9(18)15-8-13(19)16-12-5-4-10(3-2-6-17)7-11(12)14/h4-5,7,17H,6,8H2,1H3,(H,15,18)(H,16,19)
InChIKeyRXVYKXCDGNGRDJ-UHFFFAOYSA-N
MW264.26 g/mol
LogP0.24
Rot. Bonds3

About 2-acetamido-N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]acetamide

2-acetamido-N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]acetamide (PubChem CID 54922713) has the molecular formula C13H13FN2O3 and a molecular weight of 264.26 g/mol. Its IUPAC name is 2-acetamido-N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]acetamide.

Molecular Properties

Compound Name2-acetamido-N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]acetamide
PubChem CID54922713
Molecular FormulaC13H13FN2O3
Molecular Weight264.26 g/mol
Exact Mass264.09
IUPAC Name2-acetamido-N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]acetamide
SMILESCC(=O)NCC(=O)Nc1ccc(C#CCO)cc1F
InChIInChI=1S/C13H13FN2O3/c1-9(18)15-8-13(19)16-12-5-4-10(3-2-6-17)7-11(12)14/h4-5,7,17H,6,8H2,1H3,(H,15,18)(H,16,19)
InChIKeyRXVYKXCDGNGRDJ-UHFFFAOYSA-N
XLogP0.24
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.26
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-3-propoxypropanamide
CID 62715820
N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-2-phenylacetamide
CID 60802437
N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]octanamide
CID 60802780
N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-4-methylbenzamide
CID 60804157
N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]cyclopropanecarboxamide
CID 60803979
2-acetamido-N-[2-chloro-5-(4-hydroxybut-1-ynyl)phenyl]acetamide
CID 62915604
N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-6-methylpyridine-3-carboxamide
CID 60805057
N-[2-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]butanamide
CID 60803011
2-cyclopropyl-N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]propanamide
CID 83149306
N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]methanesulfonamide
CID 60813247
N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-2-(oxolan-2-yl)acetamide
CID 65160649
3-chloro-N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-4-methylthiophene-2-carboxamide
CID 103404080

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]acetamide?
The IUPAC name of 2-acetamido-N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]acetamide (CID 54922713) is 2-acetamido-N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]acetamide.
What is the SMILES notation for 2-acetamido-N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]acetamide?
The canonical SMILES for 2-acetamido-N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]acetamide is CC(=O)NCC(=O)Nc1ccc(C#CCO)cc1F.
What is the InChIKey of 2-acetamido-N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]acetamide?
The InChIKey is RXVYKXCDGNGRDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O3/c1-9(18)15-8-13(19)16-12-5-4-10(3-2-6-17)7-11(12)14/h4-5,7,17H,6,8H2,1H3,(H,15,18)(H,16,19).
What are the key properties of 2-acetamido-N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]acetamide?
2-acetamido-N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]acetamide has a molecular weight of 264.26 g/mol, XLogP of 0.24, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]acetamide is sourced from PubChem (CID 54922713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).