2-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-4-(3-hydroxyprop-1-ynyl)benzamide

C14H16FNO3 — CID 18738345

IUPAC2-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-4-(3-hydroxyprop-1-ynyl)benzamide
SMILESCC(C)(CO)NC(=O)c1ccc(C#CCO)cc1F
InChIInChI=1S/C14H16FNO3/c1-14(2,9-18)16-13(19)11-6-5-10(4-3-7-17)8-12(11)15/h5-6,8,17-18H,7,9H2,1-2H3,(H,16,19)
InChIKeyOEMUKZMQTDHJPD-UHFFFAOYSA-N
MW265.28 g/mol
LogP0.67
Rot. Bonds3

About 2-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-4-(3-hydroxyprop-1-ynyl)benzamide

2-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-4-(3-hydroxyprop-1-ynyl)benzamide (PubChem CID 18738345) has the molecular formula C14H16FNO3 and a molecular weight of 265.28 g/mol. Its IUPAC name is 2-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-4-(3-hydroxyprop-1-ynyl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-4-(3-hydroxyprop-1-ynyl)benzamide
PubChem CID18738345
Molecular FormulaC14H16FNO3
Molecular Weight265.28 g/mol
Exact Mass265.11
IUPAC Name2-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-4-(3-hydroxyprop-1-ynyl)benzamide
SMILESCC(C)(CO)NC(=O)c1ccc(C#CCO)cc1F
InChIInChI=1S/C14H16FNO3/c1-14(2,9-18)16-13(19)11-6-5-10(4-3-7-17)8-12(11)15/h5-6,8,17-18H,7,9H2,1-2H3,(H,16,19)
InChIKeyOEMUKZMQTDHJPD-UHFFFAOYSA-N
XLogP0.67
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-4-(3-hydroxyprop-1-ynyl)benzamide?
The IUPAC name of 2-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-4-(3-hydroxyprop-1-ynyl)benzamide (CID 18738345) is 2-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-4-(3-hydroxyprop-1-ynyl)benzamide.
What is the SMILES notation for 2-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-4-(3-hydroxyprop-1-ynyl)benzamide?
The canonical SMILES for 2-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-4-(3-hydroxyprop-1-ynyl)benzamide is CC(C)(CO)NC(=O)c1ccc(C#CCO)cc1F.
What is the InChIKey of 2-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-4-(3-hydroxyprop-1-ynyl)benzamide?
The InChIKey is OEMUKZMQTDHJPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO3/c1-14(2,9-18)16-13(19)11-6-5-10(4-3-7-17)8-12(11)15/h5-6,8,17-18H,7,9H2,1-2H3,(H,16,19).
What are the key properties of 2-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-4-(3-hydroxyprop-1-ynyl)benzamide?
2-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-4-(3-hydroxyprop-1-ynyl)benzamide has a molecular weight of 265.28 g/mol, XLogP of 0.67, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-4-(3-hydroxyprop-1-ynyl)benzamide is sourced from PubChem (CID 18738345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).