5-chloro-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-1-benzofuran-2-carboxamide

C18H15ClFN3O2 — CID 126773696

IUPAC5-chloro-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-1-benzofuran-2-carboxamide
SMILESO=C(NC1CCN(c2ncccc2F)C1)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C18H15ClFN3O2/c19-12-3-4-15-11(8-12)9-16(25-15)18(24)22-13-5-7-23(10-13)17-14(20)2-1-6-21-17/h1-4,6,8-9,13H,5,7,10H2,(H,22,24)
InChIKeyJGCCWMVZBILZSR-UHFFFAOYSA-N
MW359.79 g/mol
LogP3.63
Rot. Bonds3

About 5-chloro-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-1-benzofuran-2-carboxamide

5-chloro-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-1-benzofuran-2-carboxamide (PubChem CID 126773696) has the molecular formula C18H15ClFN3O2 and a molecular weight of 359.79 g/mol. Its IUPAC name is 5-chloro-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-1-benzofuran-2-carboxamide
PubChem CID126773696
Molecular FormulaC18H15ClFN3O2
Molecular Weight359.79 g/mol
Exact Mass359.08
IUPAC Name5-chloro-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-1-benzofuran-2-carboxamide
SMILESO=C(NC1CCN(c2ncccc2F)C1)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C18H15ClFN3O2/c19-12-3-4-15-11(8-12)9-16(25-15)18(24)22-13-5-7-23(10-13)17-14(20)2-1-6-21-17/h1-4,6,8-9,13H,5,7,10H2,(H,22,24)
InChIKeyJGCCWMVZBILZSR-UHFFFAOYSA-N
XLogP3.63
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.79
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-6-fluoro-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]benzamide
CID 71921906
5-chloro-N-cyclooctyl-1-benzofuran-2-carboxamide
CID 71662787
N-[1-(2,4-difluorophenyl)pyrrolidin-3-yl]-5-fluoro-1-benzofuran-2-carboxamide
CID 86967753
N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-4-oxo-1H-pyridine-2-carboxamide
CID 136564462
5-[(2,4-dimethylphenoxy)methyl]-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]furan-2-carboxamide
CID 139012930
[4-[(5-chloro-1-benzofuran-2-carbonyl)amino]piperidin-1-yl] 2,2,2-trifluoroacetate
CID 146506265
2-(dimethylamino)-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 84592874
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-[(3S)-1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]urea
CID 97222896
N-[1-(6-chloroisoquinolin-1-yl)piperidin-4-yl]-2-fluorobenzamide
CID 68880991
N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-4-(3-oxopiperazin-1-yl)pyridine-2-carboxamide
CID 126795682
N-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]benzamide
CID 166217661
N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-3-(methylcarbamoylamino)azetidine-1-carboxamide
CID 119051968

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-1-benzofuran-2-carboxamide?
The IUPAC name of 5-chloro-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-1-benzofuran-2-carboxamide (CID 126773696) is 5-chloro-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-chloro-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-1-benzofuran-2-carboxamide is O=C(NC1CCN(c2ncccc2F)C1)c1cc2cc(Cl)ccc2o1.
What is the InChIKey of 5-chloro-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-1-benzofuran-2-carboxamide?
The InChIKey is JGCCWMVZBILZSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFN3O2/c19-12-3-4-15-11(8-12)9-16(25-15)18(24)22-13-5-7-23(10-13)17-14(20)2-1-6-21-17/h1-4,6,8-9,13H,5,7,10H2,(H,22,24).
What are the key properties of 5-chloro-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-1-benzofuran-2-carboxamide?
5-chloro-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-1-benzofuran-2-carboxamide has a molecular weight of 359.79 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 126773696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).