(3R)-N-[(1R)-1-(5-fluoro-1-benzofuran-2-yl)ethyl]pyrrolidine-3-carboxamide

C15H17FN2O2 — CID 135378033

IUPAC(3R)-N-[(1R)-1-(5-fluoro-1-benzofuran-2-yl)ethyl]pyrrolidine-3-carboxamide
SMILESC[C@@H](NC(=O)[C@@H]1CCNC1)c1cc2cc(F)ccc2o1
InChIInChI=1S/C15H17FN2O2/c1-9(18-15(19)10-4-5-17-8-10)14-7-11-6-12(16)2-3-13(11)20-14/h2-3,6-7,9-10,17H,4-5,8H2,1H3,(H,18,19)/t9-,10-/m1/s1
InChIKeyCNUSZYHPJGZNQX-NXEZZACHSA-N
MW276.31 g/mol
LogP2.36
Rot. Bonds3

About (3R)-N-[(1R)-1-(5-fluoro-1-benzofuran-2-yl)ethyl]pyrrolidine-3-carboxamide

(3R)-N-[(1R)-1-(5-fluoro-1-benzofuran-2-yl)ethyl]pyrrolidine-3-carboxamide (PubChem CID 135378033) has the molecular formula C15H17FN2O2 and a molecular weight of 276.31 g/mol. Its IUPAC name is (3R)-N-[(1R)-1-(5-fluoro-1-benzofuran-2-yl)ethyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(1R)-1-(5-fluoro-1-benzofuran-2-yl)ethyl]pyrrolidine-3-carboxamide
PubChem CID135378033
Molecular FormulaC15H17FN2O2
Molecular Weight276.31 g/mol
Exact Mass276.13
IUPAC Name(3R)-N-[(1R)-1-(5-fluoro-1-benzofuran-2-yl)ethyl]pyrrolidine-3-carboxamide
SMILESC[C@@H](NC(=O)[C@@H]1CCNC1)c1cc2cc(F)ccc2o1
InChIInChI=1S/C15H17FN2O2/c1-9(18-15(19)10-4-5-17-8-10)14-7-11-6-12(16)2-3-13(11)20-14/h2-3,6-7,9-10,17H,4-5,8H2,1H3,(H,18,19)/t9-,10-/m1/s1
InChIKeyCNUSZYHPJGZNQX-NXEZZACHSA-N
XLogP2.36
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(4-fluorophenyl)ethyl]pyrrolidine-3-carboxamide
CID 81350122
N-[1-(5-fluoro-1-benzofuran-2-yl)ethyl]-7-oxaspiro[3.5]nonane-2-carboxamide
CID 166245378
N-[1-(5-fluoro-1-benzofuran-2-yl)ethyl]acetamide
CID 146127773
N-[1-(3-fluorophenyl)ethyl]pyrrolidine-3-carboxamide
CID 63005470
(3R)-N-[1-(2,5-difluorophenyl)ethyl]piperidine-3-carboxamide
CID 81123282
N-[1-(2,6-difluorophenyl)ethyl]pyrrolidine-3-carboxamide
CID 63005842
(3R)-N-[1-(4-fluorophenyl)ethyl]piperidine-3-carboxamide
CID 81139962
trans-(1S,2S)-2-(1H-benzimidazol-2-yl)-N-[(1S)-1-(5-fluoro-1-benzofuran-2-yl)ethyl]cyclopropane-1-carboxamide
CID 135378281
N-(1-phenylethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119669719
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]cyclobutanecarboxamide
CID 9366149
N-[1-(4-phenylphenyl)ethyl]pyrrolidine-3-carboxamide
CID 119685570
N-[(1S)-1-(4-chlorophenyl)ethyl]pyrrolidine-3-carboxamide
CID 81354643

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(1R)-1-(5-fluoro-1-benzofuran-2-yl)ethyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-[(1R)-1-(5-fluoro-1-benzofuran-2-yl)ethyl]pyrrolidine-3-carboxamide (CID 135378033) is (3R)-N-[(1R)-1-(5-fluoro-1-benzofuran-2-yl)ethyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(1R)-1-(5-fluoro-1-benzofuran-2-yl)ethyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-[(1R)-1-(5-fluoro-1-benzofuran-2-yl)ethyl]pyrrolidine-3-carboxamide is C[C@@H](NC(=O)[C@@H]1CCNC1)c1cc2cc(F)ccc2o1.
What is the InChIKey of (3R)-N-[(1R)-1-(5-fluoro-1-benzofuran-2-yl)ethyl]pyrrolidine-3-carboxamide?
The InChIKey is CNUSZYHPJGZNQX-NXEZZACHSA-N. The full InChI is InChI=1S/C15H17FN2O2/c1-9(18-15(19)10-4-5-17-8-10)14-7-11-6-12(16)2-3-13(11)20-14/h2-3,6-7,9-10,17H,4-5,8H2,1H3,(H,18,19)/t9-,10-/m1/s1.
What are the key properties of (3R)-N-[(1R)-1-(5-fluoro-1-benzofuran-2-yl)ethyl]pyrrolidine-3-carboxamide?
(3R)-N-[(1R)-1-(5-fluoro-1-benzofuran-2-yl)ethyl]pyrrolidine-3-carboxamide has a molecular weight of 276.31 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(1R)-1-(5-fluoro-1-benzofuran-2-yl)ethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 135378033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).