2-fluoro-5-(4-hydroxybut-1-ynyl)-N-(oxan-4-yl)benzamide

C16H18FNO3 — CID 60820882

IUPAC2-fluoro-5-(4-hydroxybut-1-ynyl)-N-(oxan-4-yl)benzamide
SMILESO=C(NC1CCOCC1)c1cc(C#CCCO)ccc1F
InChIInChI=1S/C16H18FNO3/c17-15-5-4-12(3-1-2-8-19)11-14(15)16(20)18-13-6-9-21-10-7-13/h4-5,11,13,19H,2,6-10H2,(H,18,20)
InChIKeyUWIDPJFHCMOFNP-UHFFFAOYSA-N
MW291.32 g/mol
LogP1.47
Rot. Bonds3

About 2-fluoro-5-(4-hydroxybut-1-ynyl)-N-(oxan-4-yl)benzamide

2-fluoro-5-(4-hydroxybut-1-ynyl)-N-(oxan-4-yl)benzamide (PubChem CID 60820882) has the molecular formula C16H18FNO3 and a molecular weight of 291.32 g/mol. Its IUPAC name is 2-fluoro-5-(4-hydroxybut-1-ynyl)-N-(oxan-4-yl)benzamide.

Molecular Properties

Compound Name2-fluoro-5-(4-hydroxybut-1-ynyl)-N-(oxan-4-yl)benzamide
PubChem CID60820882
Molecular FormulaC16H18FNO3
Molecular Weight291.32 g/mol
Exact Mass291.13
IUPAC Name2-fluoro-5-(4-hydroxybut-1-ynyl)-N-(oxan-4-yl)benzamide
SMILESO=C(NC1CCOCC1)c1cc(C#CCCO)ccc1F
InChIInChI=1S/C16H18FNO3/c17-15-5-4-12(3-1-2-8-19)11-14(15)16(20)18-13-6-9-21-10-7-13/h4-5,11,13,19H,2,6-10H2,(H,18,20)
InChIKeyUWIDPJFHCMOFNP-UHFFFAOYSA-N
XLogP1.47
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(3-aminoprop-1-ynyl)-2-methyl-N-(oxan-4-yl)benzamide
CID 65310974
5-bromo-2-fluoro-N-(oxan-4-yl)benzamide
CID 43610272
2-fluoro-5-(4-hydroxybut-1-ynyl)-N-(thiolan-3-ylmethyl)benzamide
CID 107297902
2-fluoro-5-(4-hydroxybut-1-ynyl)-N-pentan-3-ylbenzamide
CID 60815505
3-fluoro-4-(4-hydroxybut-1-ynyl)-N-(oxolan-3-yl)benzamide
CID 80712752
(3,4-dimethylpyrrolidin-1-yl)-[2-fluoro-5-(4-hydroxybut-1-ynyl)phenyl]methanone
CID 79179163
2-fluoro-5-(3-hydroxyprop-1-ynyl)-N-(1-methylpiperidin-3-yl)benzamide
CID 61223454
N-cyclobutyl-4-(4-hydroxybut-1-ynyl)benzamide
CID 62414049
2-fluoro-N-(oxan-4-yl)-5-piperidin-4-ylbenzamide
CID 171361952
5-(3-aminoprop-1-ynyl)-2-fluoro-N-morpholin-4-ylbenzamide
CID 83023656
3-(4-hydroxybut-1-ynyl)-N-(oxan-4-yl)benzenesulfonamide
CID 60823700
2-(3-hydroxyprop-1-ynyl)-N-(oxan-4-yl)benzamide
CID 60815314

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-(4-hydroxybut-1-ynyl)-N-(oxan-4-yl)benzamide?
The IUPAC name of 2-fluoro-5-(4-hydroxybut-1-ynyl)-N-(oxan-4-yl)benzamide (CID 60820882) is 2-fluoro-5-(4-hydroxybut-1-ynyl)-N-(oxan-4-yl)benzamide.
What is the SMILES notation for 2-fluoro-5-(4-hydroxybut-1-ynyl)-N-(oxan-4-yl)benzamide?
The canonical SMILES for 2-fluoro-5-(4-hydroxybut-1-ynyl)-N-(oxan-4-yl)benzamide is O=C(NC1CCOCC1)c1cc(C#CCCO)ccc1F.
What is the InChIKey of 2-fluoro-5-(4-hydroxybut-1-ynyl)-N-(oxan-4-yl)benzamide?
The InChIKey is UWIDPJFHCMOFNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO3/c17-15-5-4-12(3-1-2-8-19)11-14(15)16(20)18-13-6-9-21-10-7-13/h4-5,11,13,19H,2,6-10H2,(H,18,20).
What are the key properties of 2-fluoro-5-(4-hydroxybut-1-ynyl)-N-(oxan-4-yl)benzamide?
2-fluoro-5-(4-hydroxybut-1-ynyl)-N-(oxan-4-yl)benzamide has a molecular weight of 291.32 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(4-hydroxybut-1-ynyl)-N-(oxan-4-yl)benzamide is sourced from PubChem (CID 60820882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).