N-[3-[(4-fluorophenyl)methoxy]phenyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide

C23H21FN2O4 — CID 55591046

IUPACN-[3-[(4-fluorophenyl)methoxy]phenyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1cccc(OCc2ccc(F)cc2)c1)C1CC(=O)N(Cc2ccco2)C1
InChIInChI=1S/C23H21FN2O4/c24-18-8-6-16(7-9-18)15-30-20-4-1-3-19(12-20)25-23(28)17-11-22(27)26(13-17)14-21-5-2-10-29-21/h1-10,12,17H,11,13-15H2,(H,25,28)
InChIKeyUBQQOEQHUJJYPF-UHFFFAOYSA-N
MW408.43 g/mol
LogP3.98
Rot. Bonds7

About N-[3-[(4-fluorophenyl)methoxy]phenyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide

N-[3-[(4-fluorophenyl)methoxy]phenyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 55591046) has the molecular formula C23H21FN2O4 and a molecular weight of 408.43 g/mol. Its IUPAC name is N-[3-[(4-fluorophenyl)methoxy]phenyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[(4-fluorophenyl)methoxy]phenyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID55591046
Molecular FormulaC23H21FN2O4
Molecular Weight408.43 g/mol
Exact Mass408.15
IUPAC NameN-[3-[(4-fluorophenyl)methoxy]phenyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1cccc(OCc2ccc(F)cc2)c1)C1CC(=O)N(Cc2ccco2)C1
InChIInChI=1S/C23H21FN2O4/c24-18-8-6-16(7-9-18)15-30-20-4-1-3-19(12-20)25-23(28)17-11-22(27)26(13-17)14-21-5-2-10-29-21/h1-10,12,17H,11,13-15H2,(H,25,28)
InChIKeyUBQQOEQHUJJYPF-UHFFFAOYSA-N
XLogP3.98
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.43
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-(4-fluorophenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 6931900
1-(furan-2-ylmethyl)-5-oxo-N-(4-phenylmethoxyphenyl)pyrrolidine-3-carboxamide
CID 42653905
N-(3-acetamidophenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 51149894
(3S)-N-[3-(cyclopropylmethoxymethyl)phenyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 95090657
N-(3-acetylphenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 18077896
1-(furan-2-ylmethyl)-5-oxo-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]pyrrolidine-3-carboxamide
CID 49360567
(3S)-1-[(4-fluorophenyl)methyl]-N-(3-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 39346774
(3R)-1-(furan-2-ylmethyl)-N-(4-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 39314628
N-(3,5-dimethylphenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 42909280
N-(3,5-dichlorophenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 55341921
(3S)-N-(4-fluoro-2-methylphenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 8864389
(3S)-1-(furan-2-ylmethyl)-5-oxo-N-[4-(trifluoromethoxy)phenyl]pyrrolidine-3-carboxamide
CID 7987637

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-fluorophenyl)methoxy]phenyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[3-[(4-fluorophenyl)methoxy]phenyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide (CID 55591046) is N-[3-[(4-fluorophenyl)methoxy]phenyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[3-[(4-fluorophenyl)methoxy]phenyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[3-[(4-fluorophenyl)methoxy]phenyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide is O=C(Nc1cccc(OCc2ccc(F)cc2)c1)C1CC(=O)N(Cc2ccco2)C1.
What is the InChIKey of N-[3-[(4-fluorophenyl)methoxy]phenyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is UBQQOEQHUJJYPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O4/c24-18-8-6-16(7-9-18)15-30-20-4-1-3-19(12-20)25-23(28)17-11-22(27)26(13-17)14-21-5-2-10-29-21/h1-10,12,17H,11,13-15H2,(H,25,28).
What are the key properties of N-[3-[(4-fluorophenyl)methoxy]phenyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide?
N-[3-[(4-fluorophenyl)methoxy]phenyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 408.43 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-fluorophenyl)methoxy]phenyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 55591046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).