(3R)-1-[2-fluoro-4-(4-methoxyphenyl)benzoyl]pyrrolidine-3-carboxamide

C19H19FN2O3 — CID 95760054

IUPAC(3R)-1-[2-fluoro-4-(4-methoxyphenyl)benzoyl]pyrrolidine-3-carboxamide
SMILESCOc1ccc(-c2ccc(C(=O)N3CC[C@@H](C(N)=O)C3)c(F)c2)cc1
InChIInChI=1S/C19H19FN2O3/c1-25-15-5-2-12(3-6-15)13-4-7-16(17(20)10-13)19(24)22-9-8-14(11-22)18(21)23/h2-7,10,14H,8-9,11H2,1H3,(H2,21,23)/t14-/m1/s1
InChIKeyDBENTQOUFUZHAD-CQSZACIVSA-N
MW342.37 g/mol
LogP2.45
Rot. Bonds4

About (3R)-1-[2-fluoro-4-(4-methoxyphenyl)benzoyl]pyrrolidine-3-carboxamide

(3R)-1-[2-fluoro-4-(4-methoxyphenyl)benzoyl]pyrrolidine-3-carboxamide (PubChem CID 95760054) has the molecular formula C19H19FN2O3 and a molecular weight of 342.37 g/mol. Its IUPAC name is (3R)-1-[2-fluoro-4-(4-methoxyphenyl)benzoyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[2-fluoro-4-(4-methoxyphenyl)benzoyl]pyrrolidine-3-carboxamide
PubChem CID95760054
Molecular FormulaC19H19FN2O3
Molecular Weight342.37 g/mol
Exact Mass342.14
IUPAC Name(3R)-1-[2-fluoro-4-(4-methoxyphenyl)benzoyl]pyrrolidine-3-carboxamide
SMILESCOc1ccc(-c2ccc(C(=O)N3CC[C@@H](C(N)=O)C3)c(F)c2)cc1
InChIInChI=1S/C19H19FN2O3/c1-25-15-5-2-12(3-6-15)13-4-7-16(17(20)10-13)19(24)22-9-8-14(11-22)18(21)23/h2-7,10,14H,8-9,11H2,1H3,(H2,21,23)/t14-/m1/s1
InChIKeyDBENTQOUFUZHAD-CQSZACIVSA-N
XLogP2.45
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 ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-aminopiperidin-1-yl)-[2-fluoro-4-(4-methoxyphenyl)phenyl]methanone
CID 119375419
(4-amino-3,3-dimethylpiperidin-1-yl)-[2-fluoro-4-(4-methoxyphenyl)phenyl]methanone
CID 120816532
(4-amino-3,3-dimethylpiperidin-1-yl)-[2-fluoro-4-(4-methoxyphenyl)phenyl]methanone;hydrochloride
CID 120816531
(2R)-1-[2-fluoro-4-(4-methoxyphenyl)benzoyl]pyrrolidine-2-carboxamide
CID 96533912
1-(2-fluoro-4-methoxybenzoyl)piperidine-4-carbothioamide
CID 102883173
[3-(aminomethyl)pyrrolidin-1-yl]-(2-fluoro-4-methoxyphenyl)methanone
CID 113265524
(4-amino-3-methylpiperidin-1-yl)-(2-fluoro-4-methoxyphenyl)methanone
CID 103807097
1,4-diazepan-1-yl-[2-fluoro-4-(4-methoxyphenyl)phenyl]methanone
CID 119417023
azocan-1-yl-(2-fluoro-4-methoxyphenyl)methanone
CID 113218844
(2-fluoro-4-methoxyphenyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone
CID 102677558
[1-(4-bromo-2-fluorobenzoyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 25475454
(4-amino-3,3-dimethylpiperidin-1-yl)-[2-fluoro-4-(2-fluoro-4-methoxyphenyl)phenyl]methanone
CID 120815659

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-fluoro-4-(4-methoxyphenyl)benzoyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-[2-fluoro-4-(4-methoxyphenyl)benzoyl]pyrrolidine-3-carboxamide (CID 95760054) is (3R)-1-[2-fluoro-4-(4-methoxyphenyl)benzoyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[2-fluoro-4-(4-methoxyphenyl)benzoyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-[2-fluoro-4-(4-methoxyphenyl)benzoyl]pyrrolidine-3-carboxamide is COc1ccc(-c2ccc(C(=O)N3CC[C@@H](C(N)=O)C3)c(F)c2)cc1.
What is the InChIKey of (3R)-1-[2-fluoro-4-(4-methoxyphenyl)benzoyl]pyrrolidine-3-carboxamide?
The InChIKey is DBENTQOUFUZHAD-CQSZACIVSA-N. The full InChI is InChI=1S/C19H19FN2O3/c1-25-15-5-2-12(3-6-15)13-4-7-16(17(20)10-13)19(24)22-9-8-14(11-22)18(21)23/h2-7,10,14H,8-9,11H2,1H3,(H2,21,23)/t14-/m1/s1.
What are the key properties of (3R)-1-[2-fluoro-4-(4-methoxyphenyl)benzoyl]pyrrolidine-3-carboxamide?
(3R)-1-[2-fluoro-4-(4-methoxyphenyl)benzoyl]pyrrolidine-3-carboxamide has a molecular weight of 342.37 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-fluoro-4-(4-methoxyphenyl)benzoyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 95760054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).