2-fluoro-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzamide

C17H15F4N3O — CID 121142573

IUPAC2-fluoro-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzamide
SMILESO=C(NC1CCN(c2ccc(C(F)(F)F)cn2)C1)c1ccccc1F
InChIInChI=1S/C17H15F4N3O/c18-14-4-2-1-3-13(14)16(25)23-12-7-8-24(10-12)15-6-5-11(9-22-15)17(19,20)21/h1-6,9,12H,7-8,10H2,(H,23,25)
InChIKeyMVGIWQPJRZVSBJ-UHFFFAOYSA-N
MW353.32 g/mol
LogP3.25
Rot. Bonds3

About 2-fluoro-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzamide

2-fluoro-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzamide (PubChem CID 121142573) has the molecular formula C17H15F4N3O and a molecular weight of 353.32 g/mol. Its IUPAC name is 2-fluoro-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzamide
PubChem CID121142573
Molecular FormulaC17H15F4N3O
Molecular Weight353.32 g/mol
Exact Mass353.12
IUPAC Name2-fluoro-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzamide
SMILESO=C(NC1CCN(c2ccc(C(F)(F)F)cn2)C1)c1ccccc1F
InChIInChI=1S/C17H15F4N3O/c18-14-4-2-1-3-13(14)16(25)23-12-7-8-24(10-12)15-6-5-11(9-22-15)17(19,20)21/h1-6,9,12H,7-8,10H2,(H,23,25)
InChIKeyMVGIWQPJRZVSBJ-UHFFFAOYSA-N
XLogP3.25
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.32
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzamide
CID 121142758
2-methylsulfanyl-N-[(3R)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]pyridine-3-carboxamide
CID 129355700
4-phenyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzamide
CID 121142833
4-methyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzamide
CID 121142844
2-methylsulfanyl-N-[(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]pyridine-3-carboxamide
CID 26323220
2,2-dimethyl-N-[(3R)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]propanamide
CID 124760927
3-[(2-fluorophenyl)sulfonylamino]-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]propanamide
CID 121142673
3-phenyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-1H-pyrazole-5-carboxamide
CID 121142755
5-chloro-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]thiophene-2-carboxamide
CID 121142594
2-chloro-4,5-difluoro-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzamide
CID 55708556
4-(trifluoromethyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzamide
CID 46475049
1-benzhydryl-3-[(3R)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]urea
CID 99874849

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzamide?
The IUPAC name of 2-fluoro-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzamide (CID 121142573) is 2-fluoro-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzamide.
What is the SMILES notation for 2-fluoro-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzamide?
The canonical SMILES for 2-fluoro-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzamide is O=C(NC1CCN(c2ccc(C(F)(F)F)cn2)C1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzamide?
The InChIKey is MVGIWQPJRZVSBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F4N3O/c18-14-4-2-1-3-13(14)16(25)23-12-7-8-24(10-12)15-6-5-11(9-22-15)17(19,20)21/h1-6,9,12H,7-8,10H2,(H,23,25).
What are the key properties of 2-fluoro-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzamide?
2-fluoro-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzamide has a molecular weight of 353.32 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzamide is sourced from PubChem (CID 121142573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).