2,2,3,3-tetrafluoro-N-(3-pyrrolidin-1-ylphenyl)propanamide

C13H14F4N2O — CID 2992974

IUPAC2,2,3,3-tetrafluoro-N-(3-pyrrolidin-1-ylphenyl)propanamide
SMILESO=C(Nc1cccc(N2CCCC2)c1)C(F)(F)C(F)F
InChIInChI=1S/C13H14F4N2O/c14-11(15)13(16,17)12(20)18-9-4-3-5-10(8-9)19-6-1-2-7-19/h3-5,8,11H,1-2,6-7H2,(H,18,20)
InChIKeyRBVBNIQRKIZVTK-UHFFFAOYSA-N
MW290.26 g/mol
LogP3.13
Rot. Bonds4

About 2,2,3,3-tetrafluoro-N-(3-pyrrolidin-1-ylphenyl)propanamide

2,2,3,3-tetrafluoro-N-(3-pyrrolidin-1-ylphenyl)propanamide (PubChem CID 2992974) has the molecular formula C13H14F4N2O and a molecular weight of 290.26 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-N-(3-pyrrolidin-1-ylphenyl)propanamide.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-N-(3-pyrrolidin-1-ylphenyl)propanamide
PubChem CID2992974
Molecular FormulaC13H14F4N2O
Molecular Weight290.26 g/mol
Exact Mass290.10
IUPAC Name2,2,3,3-tetrafluoro-N-(3-pyrrolidin-1-ylphenyl)propanamide
SMILESO=C(Nc1cccc(N2CCCC2)c1)C(F)(F)C(F)F
InChIInChI=1S/C13H14F4N2O/c14-11(15)13(16,17)12(20)18-9-4-3-5-10(8-9)19-6-1-2-7-19/h3-5,8,11H,1-2,6-7H2,(H,18,20)
InChIKeyRBVBNIQRKIZVTK-UHFFFAOYSA-N
XLogP3.13
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.26
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2,3,3-tetrafluoro-N-(4-piperidin-1-ylphenyl)propanamide
CID 103731896
2,2,3,3-tetrafluoro-N-[3-(1,2,4-triazol-4-yl)phenyl]propanamide
CID 103732714
2,2,3,3-tetrafluoro-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]propanamide
CID 103732683
N-[3-(2,2,3,3-tetrafluoropropanoylamino)phenyl]cyclopropanecarboxamide
CID 103732512
2-methyl-N-(3-piperidin-1-ylphenyl)propanamide
CID 47379438
3,3,3-trifluoro-N-[(2S)-1-oxo-1-(3-pyrrolidin-1-ylanilino)propan-2-yl]propanamide
CID 124626431
methyl N-(3-piperidin-1-ylphenyl)carbamate
CID 110362130
1-methyl-3-(3-pyrrolidin-1-ylphenyl)-1-(3,3,3-trifluoro-2-hydroxypropyl)urea
CID 84598426
2-chloro-N-(3-piperidin-1-ylphenyl)acetamide
CID 43822445
2-amino-N-[3-(azepan-1-yl)phenyl]acetamide
CID 119892163
N-propan-2-yl-3-(2,2,3,3-tetrafluoropropanoylamino)benzamide
CID 103732776
2-(methylamino)-N-(3-pyrrolidin-1-ylphenyl)acetamide
CID 54862520

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-N-(3-pyrrolidin-1-ylphenyl)propanamide?
The IUPAC name of 2,2,3,3-tetrafluoro-N-(3-pyrrolidin-1-ylphenyl)propanamide (CID 2992974) is 2,2,3,3-tetrafluoro-N-(3-pyrrolidin-1-ylphenyl)propanamide.
What is the SMILES notation for 2,2,3,3-tetrafluoro-N-(3-pyrrolidin-1-ylphenyl)propanamide?
The canonical SMILES for 2,2,3,3-tetrafluoro-N-(3-pyrrolidin-1-ylphenyl)propanamide is O=C(Nc1cccc(N2CCCC2)c1)C(F)(F)C(F)F.
What is the InChIKey of 2,2,3,3-tetrafluoro-N-(3-pyrrolidin-1-ylphenyl)propanamide?
The InChIKey is RBVBNIQRKIZVTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F4N2O/c14-11(15)13(16,17)12(20)18-9-4-3-5-10(8-9)19-6-1-2-7-19/h3-5,8,11H,1-2,6-7H2,(H,18,20).
What are the key properties of 2,2,3,3-tetrafluoro-N-(3-pyrrolidin-1-ylphenyl)propanamide?
2,2,3,3-tetrafluoro-N-(3-pyrrolidin-1-ylphenyl)propanamide has a molecular weight of 290.26 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-N-(3-pyrrolidin-1-ylphenyl)propanamide is sourced from PubChem (CID 2992974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).