2-fluoro-4-(4-hydroxybut-1-ynyl)benzamide

C11H10FNO2 — CID 60816903

IUPAC2-fluoro-4-(4-hydroxybut-1-ynyl)benzamide
SMILESNC(=O)c1ccc(C#CCCO)cc1F
InChIInChI=1S/C11H10FNO2/c12-10-7-8(3-1-2-6-14)4-5-9(10)11(13)15/h4-5,7,14H,2,6H2,(H2,13,15)
InChIKeyJKMXNNSCVCHXMF-UHFFFAOYSA-N
MW207.20 g/mol
LogP0.66
Rot. Bonds2

About 2-fluoro-4-(4-hydroxybut-1-ynyl)benzamide

2-fluoro-4-(4-hydroxybut-1-ynyl)benzamide (PubChem CID 60816903) has the molecular formula C11H10FNO2 and a molecular weight of 207.20 g/mol. Its IUPAC name is 2-fluoro-4-(4-hydroxybut-1-ynyl)benzamide.

Molecular Properties

Compound Name2-fluoro-4-(4-hydroxybut-1-ynyl)benzamide
PubChem CID60816903
Molecular FormulaC11H10FNO2
Molecular Weight207.20 g/mol
Exact Mass207.07
IUPAC Name2-fluoro-4-(4-hydroxybut-1-ynyl)benzamide
SMILESNC(=O)c1ccc(C#CCCO)cc1F
InChIInChI=1S/C11H10FNO2/c12-10-7-8(3-1-2-6-14)4-5-9(10)11(13)15/h4-5,7,14H,2,6H2,(H2,13,15)
InChIKeyJKMXNNSCVCHXMF-UHFFFAOYSA-N
XLogP0.66
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.20
LogP ≤ 50.66
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-(3-amino-3-oxopropyl)-2-fluoro-4-(4-hydroxybut-1-ynyl)benzamide
CID 60821595
2-fluoro-4-(4-hydroxybut-1-ynyl)-N-propan-2-ylbenzamide
CID 60816110
2-fluoro-4-(4-hydroxybut-1-ynyl)-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 60821325
N-butyl-2-fluoro-4-(4-hydroxybut-1-ynyl)benzamide
CID 60817076
2-fluoro-4-(4-hydroxybut-1-ynyl)-N-(1,2,4-triazin-3-yl)benzamide
CID 114389036
N-butyl-N-ethyl-2-fluoro-4-(4-hydroxybut-1-ynyl)benzamide
CID 60817532
2-fluoro-4-(4-hydroxybut-1-ynyl)-N-(2-methoxy-2-methylpropyl)benzamide
CID 104764886
[2-fluoro-5-(4-hydroxybut-1-ynyl)phenyl]methylurea
CID 54967183
N-(cyclobutylmethyl)-2-fluoro-4-(4-hydroxybut-1-ynyl)-N-methylbenzamide
CID 62855704
[2-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]-(2-methylpyrrolidin-1-yl)methanone
CID 60974766
2-fluoro-4-(4-hydroxybut-1-ynyl)-N-(3-methyl-1,2-oxazol-5-yl)benzamide
CID 60817061
N-[2-(carbamoylamino)ethyl]-2-fluoro-4-(3-hydroxyprop-1-ynyl)benzamide
CID 83114949

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(4-hydroxybut-1-ynyl)benzamide?
The IUPAC name of 2-fluoro-4-(4-hydroxybut-1-ynyl)benzamide (CID 60816903) is 2-fluoro-4-(4-hydroxybut-1-ynyl)benzamide.
What is the SMILES notation for 2-fluoro-4-(4-hydroxybut-1-ynyl)benzamide?
The canonical SMILES for 2-fluoro-4-(4-hydroxybut-1-ynyl)benzamide is NC(=O)c1ccc(C#CCCO)cc1F.
What is the InChIKey of 2-fluoro-4-(4-hydroxybut-1-ynyl)benzamide?
The InChIKey is JKMXNNSCVCHXMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO2/c12-10-7-8(3-1-2-6-14)4-5-9(10)11(13)15/h4-5,7,14H,2,6H2,(H2,13,15).
What are the key properties of 2-fluoro-4-(4-hydroxybut-1-ynyl)benzamide?
2-fluoro-4-(4-hydroxybut-1-ynyl)benzamide has a molecular weight of 207.20 g/mol, XLogP of 0.66, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(4-hydroxybut-1-ynyl)benzamide is sourced from PubChem (CID 60816903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).