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

C15H18FNO3 — CID 62715820

IUPACN-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-3-propoxypropanamide
SMILESCCCOCCC(=O)Nc1ccc(C#CCO)cc1F
InChIInChI=1S/C15H18FNO3/c1-2-9-20-10-7-15(19)17-14-6-5-12(4-3-8-18)11-13(14)16/h5-6,11,18H,2,7-10H2,1H3,(H,17,19)
InChIKeyQPRSLCYGMAKJFY-UHFFFAOYSA-N
MW279.31 g/mol
LogP1.92
Rot. Bonds6

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

N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-3-propoxypropanamide (PubChem CID 62715820) has the molecular formula C15H18FNO3 and a molecular weight of 279.31 g/mol. Its IUPAC name is N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-3-propoxypropanamide.

Molecular Properties

Compound NameN-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-3-propoxypropanamide
PubChem CID62715820
Molecular FormulaC15H18FNO3
Molecular Weight279.31 g/mol
Exact Mass279.13
IUPAC NameN-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-3-propoxypropanamide
SMILESCCCOCCC(=O)Nc1ccc(C#CCO)cc1F
InChIInChI=1S/C15H18FNO3/c1-2-9-20-10-7-15(19)17-14-6-5-12(4-3-8-18)11-13(14)16/h5-6,11,18H,2,7-10H2,1H3,(H,17,19)
InChIKeyQPRSLCYGMAKJFY-UHFFFAOYSA-N
XLogP1.92
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]octanamide
CID 60802780
3-ethoxy-N-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]propanamide
CID 55091695
N-[2-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]butanamide
CID 60803011
2-acetamido-N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]acetamide
CID 54922713
N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]-3-propoxypropanamide
CID 62715476
N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-2-phenylacetamide
CID 60802437
N-(4-cyano-2-methoxyphenyl)-3-propoxypropanamide
CID 104849122
N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]cyclopropanecarboxamide
CID 60803979
N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-3-imidazol-1-ylpropanamide
CID 60803296
N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-4-methylbenzamide
CID 60804157
N-[2-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]-3-methylsulfanylpropanamide
CID 60804946
N-[2-ethyl-4-(3-hydroxyprop-1-ynyl)phenyl]heptanamide
CID 114753322

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-3-propoxypropanamide?
The IUPAC name of N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-3-propoxypropanamide (CID 62715820) is N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-3-propoxypropanamide.
What is the SMILES notation for N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-3-propoxypropanamide?
The canonical SMILES for N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-3-propoxypropanamide is CCCOCCC(=O)Nc1ccc(C#CCO)cc1F.
What is the InChIKey of N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-3-propoxypropanamide?
The InChIKey is QPRSLCYGMAKJFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO3/c1-2-9-20-10-7-15(19)17-14-6-5-12(4-3-8-18)11-13(14)16/h5-6,11,18H,2,7-10H2,1H3,(H,17,19).
What are the key properties of N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-3-propoxypropanamide?
N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-3-propoxypropanamide has a molecular weight of 279.31 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-3-propoxypropanamide is sourced from PubChem (CID 62715820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).