N-[2-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]butanamide

C14H16FNO2 — CID 60803011

IUPACN-[2-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(C#CCCO)cc1F
InChIInChI=1S/C14H16FNO2/c1-2-5-14(18)16-13-8-7-11(10-12(13)15)6-3-4-9-17/h7-8,10,17H,2,4-5,9H2,1H3,(H,16,18)
InChIKeyFBMKADFMDXZEGV-UHFFFAOYSA-N
MW249.28 g/mol
LogP2.30
Rot. Bonds4

About N-[2-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]butanamide

N-[2-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]butanamide (PubChem CID 60803011) has the molecular formula C14H16FNO2 and a molecular weight of 249.28 g/mol. Its IUPAC name is N-[2-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]butanamide.

Molecular Properties

Compound NameN-[2-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]butanamide
PubChem CID60803011
Molecular FormulaC14H16FNO2
Molecular Weight249.28 g/mol
Exact Mass249.12
IUPAC NameN-[2-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(C#CCCO)cc1F
InChIInChI=1S/C14H16FNO2/c1-2-5-14(18)16-13-8-7-11(10-12(13)15)6-3-4-9-17/h7-8,10,17H,2,4-5,9H2,1H3,(H,16,18)
InChIKeyFBMKADFMDXZEGV-UHFFFAOYSA-N
XLogP2.30
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]-3-methylsulfanylpropanamide
CID 60804946
1-[2-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]-3-propylurea
CID 54923015
N-[2-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]-2-methylbutanamide
CID 60804230
N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]octanamide
CID 60802780
N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-3-propoxypropanamide
CID 62715820
N-[3-(4-hydroxybut-1-ynyl)phenyl]butanamide
CID 60804224
N-[5-(4-hydroxybut-1-ynyl)-2-methylphenyl]pentanamide
CID 60803025
N-[2-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]cyclobutanecarboxamide
CID 60803530
2-cyclopropyl-N-[2-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]propanamide
CID 83148694
N-[2-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]-2-methylpyrazole-3-carboxamide
CID 60802676
N-[2-ethyl-4-(4-hydroxybut-1-ynyl)phenyl]-3,3-dimethylbutanamide
CID 81287916
2-acetamido-N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]acetamide
CID 54922713

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]butanamide?
The IUPAC name of N-[2-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]butanamide (CID 60803011) is N-[2-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]butanamide.
What is the SMILES notation for N-[2-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]butanamide?
The canonical SMILES for N-[2-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]butanamide is CCCC(=O)Nc1ccc(C#CCCO)cc1F.
What is the InChIKey of N-[2-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]butanamide?
The InChIKey is FBMKADFMDXZEGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO2/c1-2-5-14(18)16-13-8-7-11(10-12(13)15)6-3-4-9-17/h7-8,10,17H,2,4-5,9H2,1H3,(H,16,18).
What are the key properties of N-[2-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]butanamide?
N-[2-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]butanamide has a molecular weight of 249.28 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]butanamide is sourced from PubChem (CID 60803011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).