2-fluoro-N-propyl-N-prop-2-ynyl-5-(trifluoromethyl)benzamide

C14H13F4NO — CID 80719183

IUPAC2-fluoro-N-propyl-N-prop-2-ynyl-5-(trifluoromethyl)benzamide
SMILESC#CCN(CCC)C(=O)c1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C14H13F4NO/c1-3-7-19(8-4-2)13(20)11-9-10(14(16,17)18)5-6-12(11)15/h1,5-6,9H,4,7-8H2,2H3
InChIKeyVIEHDIXOGRKSIS-UHFFFAOYSA-N
MW287.26 g/mol
LogP3.33
Rot. Bonds4

About 2-fluoro-N-propyl-N-prop-2-ynyl-5-(trifluoromethyl)benzamide

2-fluoro-N-propyl-N-prop-2-ynyl-5-(trifluoromethyl)benzamide (PubChem CID 80719183) has the molecular formula C14H13F4NO and a molecular weight of 287.26 g/mol. Its IUPAC name is 2-fluoro-N-propyl-N-prop-2-ynyl-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-propyl-N-prop-2-ynyl-5-(trifluoromethyl)benzamide
PubChem CID80719183
Molecular FormulaC14H13F4NO
Molecular Weight287.26 g/mol
Exact Mass287.09
IUPAC Name2-fluoro-N-propyl-N-prop-2-ynyl-5-(trifluoromethyl)benzamide
SMILESC#CCN(CCC)C(=O)c1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C14H13F4NO/c1-3-7-19(8-4-2)13(20)11-9-10(14(16,17)18)5-6-12(11)15/h1,5-6,9H,4,7-8H2,2H3
InChIKeyVIEHDIXOGRKSIS-UHFFFAOYSA-N
XLogP3.33
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.26
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,4-difluoro-5-methyl-N-propyl-N-prop-2-ynylbenzamide
CID 112696480
N-ethyl-2-fluoro-N-(3-hydroxypropyl)-5-(trifluoromethyl)benzamide
CID 115771373
N-propyl-N-prop-2-ynyl-2-[4-(trifluoromethyl)phenyl]acetamide
CID 78970529
4-fluoro-2-methyl-N-propyl-N-prop-2-ynylbenzamide
CID 112702540
N-ethyl-2-fluoro-N-prop-2-enyl-5-(trifluoromethyl)benzamide
CID 80711534
2-chloro-4-fluoro-N-propyl-N-prop-2-ynylbenzamide
CID 78970523
2-fluoro-3-methyl-N-propyl-N-prop-2-ynylbenzamide
CID 80717799
2-fluoro-4-nitro-N-propyl-N-prop-2-ynylbenzamide
CID 78970643
2-methyl-N-propyl-N-prop-2-ynylbenzamide
CID 78970596
N-(2-chloroethyl)-N-(2,2-difluoroethyl)-2-fluoro-5-(trifluoromethyl)benzamide
CID 107490909
2-bromo-N-(cyclopropylmethyl)-N-prop-2-ynyl-5-(trifluoromethyl)benzamide
CID 115532545
2-bromo-N-propyl-N-prop-2-ynylbenzamide
CID 78971034

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-propyl-N-prop-2-ynyl-5-(trifluoromethyl)benzamide?
The IUPAC name of 2-fluoro-N-propyl-N-prop-2-ynyl-5-(trifluoromethyl)benzamide (CID 80719183) is 2-fluoro-N-propyl-N-prop-2-ynyl-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-fluoro-N-propyl-N-prop-2-ynyl-5-(trifluoromethyl)benzamide?
The canonical SMILES for 2-fluoro-N-propyl-N-prop-2-ynyl-5-(trifluoromethyl)benzamide is C#CCN(CCC)C(=O)c1cc(C(F)(F)F)ccc1F.
What is the InChIKey of 2-fluoro-N-propyl-N-prop-2-ynyl-5-(trifluoromethyl)benzamide?
The InChIKey is VIEHDIXOGRKSIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F4NO/c1-3-7-19(8-4-2)13(20)11-9-10(14(16,17)18)5-6-12(11)15/h1,5-6,9H,4,7-8H2,2H3.
What are the key properties of 2-fluoro-N-propyl-N-prop-2-ynyl-5-(trifluoromethyl)benzamide?
2-fluoro-N-propyl-N-prop-2-ynyl-5-(trifluoromethyl)benzamide has a molecular weight of 287.26 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-propyl-N-prop-2-ynyl-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 80719183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).