4-[2-(3-fluorophenyl)ethynyl]-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]benzamide

C20H20FNO2 — CID 72714074

IUPAC4-[2-(3-fluorophenyl)ethynyl]-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]benzamide
SMILESC[C@@H](NC(=O)c1ccc(C#Cc2cccc(F)c2)cc1)C(C)(C)O
InChIInChI=1S/C20H20FNO2/c1-14(20(2,3)24)22-19(23)17-11-9-15(10-12-17)7-8-16-5-4-6-18(21)13-16/h4-6,9-14,24H,1-3H3,(H,22,23)/t14-/m1/s1
InChIKeyUDFRTFXTUHMSPA-CQSZACIVSA-N
MW325.38 g/mol
LogP3.11
Rot. Bonds3

About 4-[2-(3-fluorophenyl)ethynyl]-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]benzamide

4-[2-(3-fluorophenyl)ethynyl]-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]benzamide (PubChem CID 72714074) has the molecular formula C20H20FNO2 and a molecular weight of 325.38 g/mol. Its IUPAC name is 4-[2-(3-fluorophenyl)ethynyl]-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]benzamide.

Molecular Properties

Compound Name4-[2-(3-fluorophenyl)ethynyl]-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]benzamide
PubChem CID72714074
Molecular FormulaC20H20FNO2
Molecular Weight325.38 g/mol
Exact Mass325.15
IUPAC Name4-[2-(3-fluorophenyl)ethynyl]-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]benzamide
SMILESC[C@@H](NC(=O)c1ccc(C#Cc2cccc(F)c2)cc1)C(C)(C)O
InChIInChI=1S/C20H20FNO2/c1-14(20(2,3)24)22-19(23)17-11-9-15(10-12-17)7-8-16-5-4-6-18(21)13-16/h4-6,9-14,24H,1-3H3,(H,22,23)/t14-/m1/s1
InChIKeyUDFRTFXTUHMSPA-CQSZACIVSA-N
XLogP3.11
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 53.11
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

4-methyl-N-(2-phenylethyl)benzamide
CID 723105
4-((3R)-3-((2-(4-fluorophenyl)-2-oxoethyl)amino)butyl)benzamide
CID 15991577
4-fluoro-N-(3-phenylpropyl)benzamide
CID 2164200
3-fluoro-N-(4-phenylbutan-2-yl)benzamide
CID 2914829
N-Cyclohexyl-4-methylbenzamide
CID 228684
4-fluoro-N-(4-phenylbutan-2-yl)benzamide
CID 2914288
N-(2-benzamidoethyl)-4-methylbenzamide
CID 1947346
4-fluoro-N-[3-[(4-fluorobenzoyl)amino]propyl]benzamide
CID 2841750
2-fluoro-N-(4-phenylbutan-2-yl)benzamide
CID 2915993
4-benzoyl-N-butan-2-ylbenzamide
CID 4877194
N-[1-(4-fluorophenyl)ethyl]-4-oxo-4-phenylbutanamide
CID 24980236
N-[1-(4-ethylphenyl)ethyl]-4-fluorobenzamide
CID 3693136

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-fluorophenyl)ethynyl]-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]benzamide?
The IUPAC name of 4-[2-(3-fluorophenyl)ethynyl]-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]benzamide (CID 72714074) is 4-[2-(3-fluorophenyl)ethynyl]-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]benzamide.
What is the SMILES notation for 4-[2-(3-fluorophenyl)ethynyl]-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]benzamide?
The canonical SMILES for 4-[2-(3-fluorophenyl)ethynyl]-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]benzamide is C[C@@H](NC(=O)c1ccc(C#Cc2cccc(F)c2)cc1)C(C)(C)O.
What is the InChIKey of 4-[2-(3-fluorophenyl)ethynyl]-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]benzamide?
The InChIKey is UDFRTFXTUHMSPA-CQSZACIVSA-N. The full InChI is InChI=1S/C20H20FNO2/c1-14(20(2,3)24)22-19(23)17-11-9-15(10-12-17)7-8-16-5-4-6-18(21)13-16/h4-6,9-14,24H,1-3H3,(H,22,23)/t14-/m1/s1.
What are the key properties of 4-[2-(3-fluorophenyl)ethynyl]-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]benzamide?
4-[2-(3-fluorophenyl)ethynyl]-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]benzamide has a molecular weight of 325.38 g/mol, XLogP of 3.11, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-fluorophenyl)ethynyl]-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]benzamide is sourced from PubChem (CID 72714074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).