(2R)-1-[2-fluoro-4-(4-methoxyphenyl)benzoyl]pyrrolidine-2-carboxamide

C19H19FN2O3 — CID 96533912

IUPAC(2R)-1-[2-fluoro-4-(4-methoxyphenyl)benzoyl]pyrrolidine-2-carboxamide
SMILESCOc1ccc(-c2ccc(C(=O)N3CCC[C@@H]3C(N)=O)c(F)c2)cc1
InChIInChI=1S/C19H19FN2O3/c1-25-14-7-4-12(5-8-14)13-6-9-15(16(20)11-13)19(24)22-10-2-3-17(22)18(21)23/h4-9,11,17H,2-3,10H2,1H3,(H2,21,23)/t17-/m1/s1
InChIKeyZWQLHSBACOYUGZ-QGZVFWFLSA-N
MW342.37 g/mol
LogP2.59
Rot. Bonds4

About (2R)-1-[2-fluoro-4-(4-methoxyphenyl)benzoyl]pyrrolidine-2-carboxamide

(2R)-1-[2-fluoro-4-(4-methoxyphenyl)benzoyl]pyrrolidine-2-carboxamide (PubChem CID 96533912) has the molecular formula C19H19FN2O3 and a molecular weight of 342.37 g/mol. Its IUPAC name is (2R)-1-[2-fluoro-4-(4-methoxyphenyl)benzoyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-[2-fluoro-4-(4-methoxyphenyl)benzoyl]pyrrolidine-2-carboxamide
PubChem CID96533912
Molecular FormulaC19H19FN2O3
Molecular Weight342.37 g/mol
Exact Mass342.14
IUPAC Name(2R)-1-[2-fluoro-4-(4-methoxyphenyl)benzoyl]pyrrolidine-2-carboxamide
SMILESCOc1ccc(-c2ccc(C(=O)N3CCC[C@@H]3C(N)=O)c(F)c2)cc1
InChIInChI=1S/C19H19FN2O3/c1-25-14-7-4-12(5-8-14)13-6-9-15(16(20)11-13)19(24)22-10-2-3-17(22)18(21)23/h4-9,11,17H,2-3,10H2,1H3,(H2,21,23)/t17-/m1/s1
InChIKeyZWQLHSBACOYUGZ-QGZVFWFLSA-N
XLogP2.59
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluoro-4-methoxybenzoyl)pyrrolidine-2-carbothioamide
CID 102883167
(2S)-1-(4-methoxybenzoyl)pyrrolidine-2-carboxamide
CID 110867482
(3R)-1-[2-fluoro-4-(4-methoxyphenyl)benzoyl]pyrrolidine-3-carboxamide
CID 95760054
(4-aminopiperidin-1-yl)-[2-fluoro-4-(4-methoxyphenyl)phenyl]methanone
CID 119375419
(2S)-1-[4-(4-methoxyphenoxy)benzoyl]pyrrolidine-2-carboxamide
CID 46986685
(2-fluoro-4-methoxyphenyl)-(2-methylpyrrolidin-1-yl)methanone
CID 103709651
1-(2-fluorobenzoyl)pyrrolidine-2-carboxamide
CID 60659210
(2S)-1-[4-(3,4,5-trifluorophenyl)benzoyl]pyrrolidine-2-carboxamide
CID 96510202
(4-amino-3,3-dimethylpiperidin-1-yl)-[2-fluoro-4-(4-methoxyphenyl)phenyl]methanone
CID 120816532
1-[2-fluoro-4-[2-fluoro-4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]benzoyl]pyrrolidine-2-carboxamide
CID 134420774
(4-amino-3,3-dimethylpiperidin-1-yl)-[2-fluoro-4-(4-methoxyphenyl)phenyl]methanone;hydrochloride
CID 120816531
1,4-diazepan-1-yl-[2-fluoro-4-(4-methoxyphenyl)phenyl]methanone
CID 119417023

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-fluoro-4-(4-methoxyphenyl)benzoyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-[2-fluoro-4-(4-methoxyphenyl)benzoyl]pyrrolidine-2-carboxamide (CID 96533912) is (2R)-1-[2-fluoro-4-(4-methoxyphenyl)benzoyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-[2-fluoro-4-(4-methoxyphenyl)benzoyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-[2-fluoro-4-(4-methoxyphenyl)benzoyl]pyrrolidine-2-carboxamide is COc1ccc(-c2ccc(C(=O)N3CCC[C@@H]3C(N)=O)c(F)c2)cc1.
What is the InChIKey of (2R)-1-[2-fluoro-4-(4-methoxyphenyl)benzoyl]pyrrolidine-2-carboxamide?
The InChIKey is ZWQLHSBACOYUGZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H19FN2O3/c1-25-14-7-4-12(5-8-14)13-6-9-15(16(20)11-13)19(24)22-10-2-3-17(22)18(21)23/h4-9,11,17H,2-3,10H2,1H3,(H2,21,23)/t17-/m1/s1.
What are the key properties of (2R)-1-[2-fluoro-4-(4-methoxyphenyl)benzoyl]pyrrolidine-2-carboxamide?
(2R)-1-[2-fluoro-4-(4-methoxyphenyl)benzoyl]pyrrolidine-2-carboxamide has a molecular weight of 342.37 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-fluoro-4-(4-methoxyphenyl)benzoyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 96533912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).