2-(3-hydroxyprop-1-ynyl)-4-methyl-N-(2,2,3,3-tetrafluoropropyl)benzamide

C14H13F4NO2 — CID 106295346

IUPAC2-(3-hydroxyprop-1-ynyl)-4-methyl-N-(2,2,3,3-tetrafluoropropyl)benzamide
SMILESCc1ccc(C(=O)NCC(F)(F)C(F)F)c(C#CCO)c1
InChIInChI=1S/C14H13F4NO2/c1-9-4-5-11(10(7-9)3-2-6-20)12(21)19-8-14(17,18)13(15)16/h4-5,7,13,20H,6,8H2,1H3,(H,19,21)
InChIKeyVJSRNOOMTBZBGE-UHFFFAOYSA-N
MW303.26 g/mol
LogP1.97
Rot. Bonds4

About 2-(3-hydroxyprop-1-ynyl)-4-methyl-N-(2,2,3,3-tetrafluoropropyl)benzamide

2-(3-hydroxyprop-1-ynyl)-4-methyl-N-(2,2,3,3-tetrafluoropropyl)benzamide (PubChem CID 106295346) has the molecular formula C14H13F4NO2 and a molecular weight of 303.26 g/mol. Its IUPAC name is 2-(3-hydroxyprop-1-ynyl)-4-methyl-N-(2,2,3,3-tetrafluoropropyl)benzamide.

Molecular Properties

Compound Name2-(3-hydroxyprop-1-ynyl)-4-methyl-N-(2,2,3,3-tetrafluoropropyl)benzamide
PubChem CID106295346
Molecular FormulaC14H13F4NO2
Molecular Weight303.26 g/mol
Exact Mass303.09
IUPAC Name2-(3-hydroxyprop-1-ynyl)-4-methyl-N-(2,2,3,3-tetrafluoropropyl)benzamide
SMILESCc1ccc(C(=O)NCC(F)(F)C(F)F)c(C#CCO)c1
InChIInChI=1S/C14H13F4NO2/c1-9-4-5-11(10(7-9)3-2-6-20)12(21)19-8-14(17,18)13(15)16/h4-5,7,13,20H,6,8H2,1H3,(H,19,21)
InChIKeyVJSRNOOMTBZBGE-UHFFFAOYSA-N
XLogP1.97
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.26
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3-hydroxyprop-1-ynyl)-N-(2-methoxy-2-methylpropyl)-4-methylbenzamide
CID 104764878
5-methyl-2-(methylamino)-N-(2,2,3,3-tetrafluoropropyl)benzamide
CID 106295577
3-(3-hydroxyprop-1-ynyl)-N-(2,2,3,3-tetrafluoropropyl)thiophene-2-carboxamide
CID 106295344
4-methyl-2-(propylamino)-N-(2,2,3,3-tetrafluoropropyl)benzamide
CID 106295510
4-hydroxy-2-methyl-N-(2,2,3,3-tetrafluoropropyl)benzamide
CID 103528791
4-fluoro-2-methyl-N-(2,2,3,3-tetrafluoropropyl)benzamide
CID 103528310
4-hydrazinyl-2-methyl-N-(2,2,3,3-tetrafluoropropyl)benzamide
CID 106295653
N-(2-ethoxy-2-methylpropyl)-4-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide
CID 114943850
2-(3-hydroxyprop-1-ynyl)-5-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 81112176
4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-(3-methylbutan-2-yl)benzamide
CID 54921677
2,4-dimethyl-N-(2,2,2-trifluoroethyl)benzamide
CID 78785997
5-(3-aminoprop-1-ynyl)-2-fluoro-N-(2,2,3,3-tetrafluoropropyl)benzamide
CID 106295376

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxyprop-1-ynyl)-4-methyl-N-(2,2,3,3-tetrafluoropropyl)benzamide?
The IUPAC name of 2-(3-hydroxyprop-1-ynyl)-4-methyl-N-(2,2,3,3-tetrafluoropropyl)benzamide (CID 106295346) is 2-(3-hydroxyprop-1-ynyl)-4-methyl-N-(2,2,3,3-tetrafluoropropyl)benzamide.
What is the SMILES notation for 2-(3-hydroxyprop-1-ynyl)-4-methyl-N-(2,2,3,3-tetrafluoropropyl)benzamide?
The canonical SMILES for 2-(3-hydroxyprop-1-ynyl)-4-methyl-N-(2,2,3,3-tetrafluoropropyl)benzamide is Cc1ccc(C(=O)NCC(F)(F)C(F)F)c(C#CCO)c1.
What is the InChIKey of 2-(3-hydroxyprop-1-ynyl)-4-methyl-N-(2,2,3,3-tetrafluoropropyl)benzamide?
The InChIKey is VJSRNOOMTBZBGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F4NO2/c1-9-4-5-11(10(7-9)3-2-6-20)12(21)19-8-14(17,18)13(15)16/h4-5,7,13,20H,6,8H2,1H3,(H,19,21).
What are the key properties of 2-(3-hydroxyprop-1-ynyl)-4-methyl-N-(2,2,3,3-tetrafluoropropyl)benzamide?
2-(3-hydroxyprop-1-ynyl)-4-methyl-N-(2,2,3,3-tetrafluoropropyl)benzamide has a molecular weight of 303.26 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxyprop-1-ynyl)-4-methyl-N-(2,2,3,3-tetrafluoropropyl)benzamide is sourced from PubChem (CID 106295346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).