2,4,5-trifluoro-N-(3-pyridin-2-ylprop-2-ynyl)benzamide

C15H9F3N2O — CID 84595317

IUPAC2,4,5-trifluoro-N-(3-pyridin-2-ylprop-2-ynyl)benzamide
SMILESO=C(NCC#Cc1ccccn1)c1cc(F)c(F)cc1F
InChIInChI=1S/C15H9F3N2O/c16-12-9-14(18)13(17)8-11(12)15(21)20-7-3-5-10-4-1-2-6-19-10/h1-2,4,6,8-9H,7H2,(H,20,21)
InChIKeyXNUNPTWRJFZWPI-UHFFFAOYSA-N
MW290.24 g/mol
LogP2.28
Rot. Bonds2

About 2,4,5-trifluoro-N-(3-pyridin-2-ylprop-2-ynyl)benzamide

2,4,5-trifluoro-N-(3-pyridin-2-ylprop-2-ynyl)benzamide (PubChem CID 84595317) has the molecular formula C15H9F3N2O and a molecular weight of 290.24 g/mol. Its IUPAC name is 2,4,5-trifluoro-N-(3-pyridin-2-ylprop-2-ynyl)benzamide.

Molecular Properties

Compound Name2,4,5-trifluoro-N-(3-pyridin-2-ylprop-2-ynyl)benzamide
PubChem CID84595317
Molecular FormulaC15H9F3N2O
Molecular Weight290.24 g/mol
Exact Mass290.07
IUPAC Name2,4,5-trifluoro-N-(3-pyridin-2-ylprop-2-ynyl)benzamide
SMILESO=C(NCC#Cc1ccccn1)c1cc(F)c(F)cc1F
InChIInChI=1S/C15H9F3N2O/c16-12-9-14(18)13(17)8-11(12)15(21)20-7-3-5-10-4-1-2-6-19-10/h1-2,4,6,8-9H,7H2,(H,20,21)
InChIKeyXNUNPTWRJFZWPI-UHFFFAOYSA-N
XLogP2.28
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.24
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-hydroxy-3-phenyl-N-(3-pyridin-2-ylprop-2-ynyl)butanamide
CID 91660263
2,4-difluoro-N-(pyridin-2-ylmethyl)benzamide
CID 9414595
N-[3-(2-fluorophenyl)prop-2-ynyl]-2-iodobenzamide
CID 90547862
N-[3-(2-fluorophenyl)prop-2-ynyl]-2-methylsulfanylbenzamide
CID 90547949
4-pyridin-2-ylbut-3-yn-1-amine;hydrochloride
CID 69041550
2,4-difluoro-N-(2-pyridin-2-ylethyl)benzamide
CID 51164132
5-amino-2,4-difluoro-N-(1-pyridin-2-ylethyl)benzamide
CID 61092654
N-methyl-N-phenyl-5-pyridin-2-ylpent-4-ynamide
CID 11579821
[(2,4,5-trifluorobenzoyl)amino]methanesulfinate
CID 174758593
3-pyridin-2-ylprop-2-ynyl methanesulfonate
CID 87880685
4-fluoro-N-methyl-N-(4-pyridin-2-ylbut-3-ynyl)benzamide;N-methyl-N-(4-pyridin-2-ylbut-3-ynyl)-2-(trifluoromethyl)benzamide
CID 161105984
3-(4-fluorophenyl)-N-[3-(2-fluorophenyl)prop-2-ynyl]-1H-pyrazole-5-carboxamide
CID 90547769

Frequently Asked Questions

What is the IUPAC name of 2,4,5-trifluoro-N-(3-pyridin-2-ylprop-2-ynyl)benzamide?
The IUPAC name of 2,4,5-trifluoro-N-(3-pyridin-2-ylprop-2-ynyl)benzamide (CID 84595317) is 2,4,5-trifluoro-N-(3-pyridin-2-ylprop-2-ynyl)benzamide.
What is the SMILES notation for 2,4,5-trifluoro-N-(3-pyridin-2-ylprop-2-ynyl)benzamide?
The canonical SMILES for 2,4,5-trifluoro-N-(3-pyridin-2-ylprop-2-ynyl)benzamide is O=C(NCC#Cc1ccccn1)c1cc(F)c(F)cc1F.
What is the InChIKey of 2,4,5-trifluoro-N-(3-pyridin-2-ylprop-2-ynyl)benzamide?
The InChIKey is XNUNPTWRJFZWPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F3N2O/c16-12-9-14(18)13(17)8-11(12)15(21)20-7-3-5-10-4-1-2-6-19-10/h1-2,4,6,8-9H,7H2,(H,20,21).
What are the key properties of 2,4,5-trifluoro-N-(3-pyridin-2-ylprop-2-ynyl)benzamide?
2,4,5-trifluoro-N-(3-pyridin-2-ylprop-2-ynyl)benzamide has a molecular weight of 290.24 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trifluoro-N-(3-pyridin-2-ylprop-2-ynyl)benzamide is sourced from PubChem (CID 84595317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).