3-(3-hydroxyprop-1-ynyl)-5-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide

C15H14F3NO2 — CID 106217813

IUPAC3-(3-hydroxyprop-1-ynyl)-5-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide
SMILESCc1cc(C#CCO)cc(C(=O)NC2(C(F)(F)F)CC2)c1
InChIInChI=1S/C15H14F3NO2/c1-10-7-11(3-2-6-20)9-12(8-10)13(21)19-14(4-5-14)15(16,17)18/h7-9,20H,4-6H2,1H3,(H,19,21)
InChIKeyNCHULBNWGOZVMW-UHFFFAOYSA-N
MW297.28 g/mol
LogP2.16
Rot. Bonds2

About 3-(3-hydroxyprop-1-ynyl)-5-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide

3-(3-hydroxyprop-1-ynyl)-5-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide (PubChem CID 106217813) has the molecular formula C15H14F3NO2 and a molecular weight of 297.28 g/mol. Its IUPAC name is 3-(3-hydroxyprop-1-ynyl)-5-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide.

Molecular Properties

Compound Name3-(3-hydroxyprop-1-ynyl)-5-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide
PubChem CID106217813
Molecular FormulaC15H14F3NO2
Molecular Weight297.28 g/mol
Exact Mass297.10
IUPAC Name3-(3-hydroxyprop-1-ynyl)-5-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide
SMILESCc1cc(C#CCO)cc(C(=O)NC2(C(F)(F)F)CC2)c1
InChIInChI=1S/C15H14F3NO2/c1-10-7-11(3-2-6-20)9-12(8-10)13(21)19-14(4-5-14)15(16,17)18/h7-9,20H,4-6H2,1H3,(H,19,21)
InChIKeyNCHULBNWGOZVMW-UHFFFAOYSA-N
XLogP2.16
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 52.16
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

3-(3-hydroxyprop-1-ynyl)-5-methyl-N-(1-methylcyclopropyl)benzamide
CID 113485875
3-(3-hydroxyprop-1-ynyl)-N-(2-methoxyethyl)-5-methylbenzamide
CID 115999776
ethyl 2-[[3-(3-hydroxyprop-1-ynyl)-5-methylbenzoyl]amino]acetate
CID 115999968
2-(3-hydroxyprop-1-ynyl)-N-[1-(trifluoromethyl)cyclopropyl]benzamide
CID 106217814
3-(3-hydroxyprop-1-ynyl)-5-methyl-N-pentylbenzamide
CID 115999826
3-(3-hydroxyprop-1-ynyl)-5-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide
CID 106258823
azepan-1-yl-[3-(3-hydroxyprop-1-ynyl)-5-methylphenyl]methanone
CID 115999799
3-amino-5-fluoro-4-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide
CID 106208197
3-(4-hydroxybut-1-ynyl)-5-methyl-N-propan-2-ylbenzamide
CID 115999769
[4-(hydroxymethyl)piperidin-1-yl]-[3-(3-hydroxyprop-1-ynyl)-5-methylphenyl]methanone
CID 115999970
3-amino-4-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide
CID 114158343
3-(3-hydroxyprop-1-ynyl)-N,5-dimethyl-N-(3-methylbutan-2-yl)benzamide
CID 115999918

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxyprop-1-ynyl)-5-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide?
The IUPAC name of 3-(3-hydroxyprop-1-ynyl)-5-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide (CID 106217813) is 3-(3-hydroxyprop-1-ynyl)-5-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide.
What is the SMILES notation for 3-(3-hydroxyprop-1-ynyl)-5-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide?
The canonical SMILES for 3-(3-hydroxyprop-1-ynyl)-5-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide is Cc1cc(C#CCO)cc(C(=O)NC2(C(F)(F)F)CC2)c1.
What is the InChIKey of 3-(3-hydroxyprop-1-ynyl)-5-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide?
The InChIKey is NCHULBNWGOZVMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO2/c1-10-7-11(3-2-6-20)9-12(8-10)13(21)19-14(4-5-14)15(16,17)18/h7-9,20H,4-6H2,1H3,(H,19,21).
What are the key properties of 3-(3-hydroxyprop-1-ynyl)-5-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide?
3-(3-hydroxyprop-1-ynyl)-5-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide has a molecular weight of 297.28 g/mol, XLogP of 2.16, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxyprop-1-ynyl)-5-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide is sourced from PubChem (CID 106217813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).