N-[1-(2,4-difluorophenyl)pyrrolidin-3-yl]-5-fluoro-1-benzofuran-2-carboxamide

C19H15F3N2O2 — CID 86967753

IUPACN-[1-(2,4-difluorophenyl)pyrrolidin-3-yl]-5-fluoro-1-benzofuran-2-carboxamide
SMILESO=C(NC1CCN(c2ccc(F)cc2F)C1)c1cc2cc(F)ccc2o1
InChIInChI=1S/C19H15F3N2O2/c20-12-2-4-17-11(7-12)8-18(26-17)19(25)23-14-5-6-24(10-14)16-3-1-13(21)9-15(16)22/h1-4,7-9,14H,5-6,10H2,(H,23,25)
InChIKeyHCKDJKHNGWSAOU-UHFFFAOYSA-N
MW360.34 g/mol
LogP3.86
Rot. Bonds3

About N-[1-(2,4-difluorophenyl)pyrrolidin-3-yl]-5-fluoro-1-benzofuran-2-carboxamide

N-[1-(2,4-difluorophenyl)pyrrolidin-3-yl]-5-fluoro-1-benzofuran-2-carboxamide (PubChem CID 86967753) has the molecular formula C19H15F3N2O2 and a molecular weight of 360.34 g/mol. Its IUPAC name is N-[1-(2,4-difluorophenyl)pyrrolidin-3-yl]-5-fluoro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2,4-difluorophenyl)pyrrolidin-3-yl]-5-fluoro-1-benzofuran-2-carboxamide
PubChem CID86967753
Molecular FormulaC19H15F3N2O2
Molecular Weight360.34 g/mol
Exact Mass360.11
IUPAC NameN-[1-(2,4-difluorophenyl)pyrrolidin-3-yl]-5-fluoro-1-benzofuran-2-carboxamide
SMILESO=C(NC1CCN(c2ccc(F)cc2F)C1)c1cc2cc(F)ccc2o1
InChIInChI=1S/C19H15F3N2O2/c20-12-2-4-17-11(7-12)8-18(26-17)19(25)23-14-5-6-24(10-14)16-3-1-13(21)9-15(16)22/h1-4,7-9,14H,5-6,10H2,(H,23,25)
InChIKeyHCKDJKHNGWSAOU-UHFFFAOYSA-N
XLogP3.86
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.34
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-5-fluoro-1-benzofuran-2-carboxamide
CID 126783424
5-chloro-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-1-benzofuran-2-carboxamide
CID 126773696
N-[(3R)-1-(2,4-difluorophenyl)pyrrolidin-3-yl]pyridine-3-carboxamide
CID 95614562
N-[1-(2,4-difluorophenyl)pyrrolidin-3-yl]-2-hydroxy-3-methylbenzamide
CID 86896565
N-[1-(2,4-difluorophenyl)pyrrolidin-3-yl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 56782524
5-fluoro-N-[1-[(1R)-1-pyridin-4-ylethyl]piperidin-4-yl]-1-benzofuran-2-carboxamide
CID 124591641
N-[(3R)-1-(2,4-difluorophenyl)pyrrolidin-3-yl]-N'-phenyloxamide
CID 95614867
[1-(2-amino-4-fluorophenyl)pyrrolidin-3-yl]carbamic acid
CID 118296358
1-[(3R)-1-(2,4-difluorophenyl)pyrrolidin-3-yl]-3-[[(1S,2R)-2-hydroxycyclopentyl]methyl]urea
CID 100859902
N-[(3S)-1-(2,4-difluorophenyl)pyrrolidin-3-yl]imidazo[1,2-a]pyrimidine-2-carboxamide
CID 95614864
N-[1-(2,4-difluorophenyl)pyrrolidin-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 56782313
N-[(3S)-1-(2,4-difluorophenyl)pyrrolidin-3-yl]-2-[methyl(propan-2-yl)amino]acetamide
CID 95348554

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-difluorophenyl)pyrrolidin-3-yl]-5-fluoro-1-benzofuran-2-carboxamide?
The IUPAC name of N-[1-(2,4-difluorophenyl)pyrrolidin-3-yl]-5-fluoro-1-benzofuran-2-carboxamide (CID 86967753) is N-[1-(2,4-difluorophenyl)pyrrolidin-3-yl]-5-fluoro-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[1-(2,4-difluorophenyl)pyrrolidin-3-yl]-5-fluoro-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[1-(2,4-difluorophenyl)pyrrolidin-3-yl]-5-fluoro-1-benzofuran-2-carboxamide is O=C(NC1CCN(c2ccc(F)cc2F)C1)c1cc2cc(F)ccc2o1.
What is the InChIKey of N-[1-(2,4-difluorophenyl)pyrrolidin-3-yl]-5-fluoro-1-benzofuran-2-carboxamide?
The InChIKey is HCKDJKHNGWSAOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N2O2/c20-12-2-4-17-11(7-12)8-18(26-17)19(25)23-14-5-6-24(10-14)16-3-1-13(21)9-15(16)22/h1-4,7-9,14H,5-6,10H2,(H,23,25).
What are the key properties of N-[1-(2,4-difluorophenyl)pyrrolidin-3-yl]-5-fluoro-1-benzofuran-2-carboxamide?
N-[1-(2,4-difluorophenyl)pyrrolidin-3-yl]-5-fluoro-1-benzofuran-2-carboxamide has a molecular weight of 360.34 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-difluorophenyl)pyrrolidin-3-yl]-5-fluoro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 86967753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).