2-(3-hydroxyprop-1-ynyl)-N-[1-(trifluoromethyl)cyclopropyl]benzamide

C14H12F3NO2 — CID 106217814

IUPAC2-(3-hydroxyprop-1-ynyl)-N-[1-(trifluoromethyl)cyclopropyl]benzamide
SMILESO=C(NC1(C(F)(F)F)CC1)c1ccccc1C#CCO
InChIInChI=1S/C14H12F3NO2/c15-14(16,17)13(7-8-13)18-12(20)11-6-2-1-4-10(11)5-3-9-19/h1-2,4,6,19H,7-9H2,(H,18,20)
InChIKeyBXXIJSJUWSQYJJ-UHFFFAOYSA-N
MW283.25 g/mol
LogP1.86
Rot. Bonds2

About 2-(3-hydroxyprop-1-ynyl)-N-[1-(trifluoromethyl)cyclopropyl]benzamide

2-(3-hydroxyprop-1-ynyl)-N-[1-(trifluoromethyl)cyclopropyl]benzamide (PubChem CID 106217814) has the molecular formula C14H12F3NO2 and a molecular weight of 283.25 g/mol. Its IUPAC name is 2-(3-hydroxyprop-1-ynyl)-N-[1-(trifluoromethyl)cyclopropyl]benzamide.

Molecular Properties

Compound Name2-(3-hydroxyprop-1-ynyl)-N-[1-(trifluoromethyl)cyclopropyl]benzamide
PubChem CID106217814
Molecular FormulaC14H12F3NO2
Molecular Weight283.25 g/mol
Exact Mass283.08
IUPAC Name2-(3-hydroxyprop-1-ynyl)-N-[1-(trifluoromethyl)cyclopropyl]benzamide
SMILESO=C(NC1(C(F)(F)F)CC1)c1ccccc1C#CCO
InChIInChI=1S/C14H12F3NO2/c15-14(16,17)13(7-8-13)18-12(20)11-6-2-1-4-10(11)5-3-9-19/h1-2,4,6,19H,7-9H2,(H,18,20)
InChIKeyBXXIJSJUWSQYJJ-UHFFFAOYSA-N
XLogP1.86
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(3-hydroxyprop-1-ynyl)-N-[1-(trifluoromethyl)cyclopropyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-hydroxyprop-1-ynyl)-5-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide
CID 106217813
2-(4-hydroxybut-1-ynyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 60815894
N-[2-(carbamoylamino)ethyl]-2-(3-hydroxyprop-1-ynyl)benzamide
CID 83115719
3-(3-aminoprop-1-ynyl)-N-[1-(trifluoromethyl)cyclopropyl]thiophene-2-carboxamide
CID 106217855
2-(3-hydroxyprop-1-ynyl)-N-(oxan-4-yl)benzamide
CID 60815314
N-(2-ethylcyclopropyl)-2-(3-hydroxyprop-1-ynyl)benzamide
CID 114109304
2-(3-hydroxyprop-1-ynyl)-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 106422353
N-[2-(ethylamino)-2-oxoethyl]-2-(3-hydroxyprop-1-ynyl)benzamide
CID 54921802
N-(3,5-dichlorophenyl)-2-(3-hydroxyprop-1-ynyl)benzamide
CID 60816523
N-(3-ethylphenyl)-2-(3-hydroxyprop-1-ynyl)benzamide
CID 60816213
2-(3-hydroxyprop-1-ynyl)-N-(2-methylcyclopentyl)benzamide
CID 63279115
2-(methylamino)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-carboxamide
CID 106218163

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxyprop-1-ynyl)-N-[1-(trifluoromethyl)cyclopropyl]benzamide?
The IUPAC name of 2-(3-hydroxyprop-1-ynyl)-N-[1-(trifluoromethyl)cyclopropyl]benzamide (CID 106217814) is 2-(3-hydroxyprop-1-ynyl)-N-[1-(trifluoromethyl)cyclopropyl]benzamide.
What is the SMILES notation for 2-(3-hydroxyprop-1-ynyl)-N-[1-(trifluoromethyl)cyclopropyl]benzamide?
The canonical SMILES for 2-(3-hydroxyprop-1-ynyl)-N-[1-(trifluoromethyl)cyclopropyl]benzamide is O=C(NC1(C(F)(F)F)CC1)c1ccccc1C#CCO.
What is the InChIKey of 2-(3-hydroxyprop-1-ynyl)-N-[1-(trifluoromethyl)cyclopropyl]benzamide?
The InChIKey is BXXIJSJUWSQYJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO2/c15-14(16,17)13(7-8-13)18-12(20)11-6-2-1-4-10(11)5-3-9-19/h1-2,4,6,19H,7-9H2,(H,18,20).
What are the key properties of 2-(3-hydroxyprop-1-ynyl)-N-[1-(trifluoromethyl)cyclopropyl]benzamide?
2-(3-hydroxyprop-1-ynyl)-N-[1-(trifluoromethyl)cyclopropyl]benzamide has a molecular weight of 283.25 g/mol, XLogP of 1.86, 2 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)-N-[1-(trifluoromethyl)cyclopropyl]benzamide is sourced from PubChem (CID 106217814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).