(3R)-N-(4-butylphenyl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide

C21H23FN2O2 — CID 2203536

IUPAC(3R)-N-(4-butylphenyl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCCCc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3F)C2)cc1
InChIInChI=1S/C21H23FN2O2/c1-2-3-6-15-9-11-17(12-10-15)23-21(26)16-13-20(25)24(14-16)19-8-5-4-7-18(19)22/h4-5,7-12,16H,2-3,6,13-14H2,1H3,(H,23,26)/t16-/m1/s1
InChIKeyCZQASAPVAYIPIY-MRXNPFEDSA-N
MW354.43 g/mol
LogP4.16
Rot. Bonds6

About (3R)-N-(4-butylphenyl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide

(3R)-N-(4-butylphenyl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 2203536) has the molecular formula C21H23FN2O2 and a molecular weight of 354.43 g/mol. Its IUPAC name is (3R)-N-(4-butylphenyl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(4-butylphenyl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID2203536
Molecular FormulaC21H23FN2O2
Molecular Weight354.43 g/mol
Exact Mass354.17
IUPAC Name(3R)-N-(4-butylphenyl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCCCc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3F)C2)cc1
InChIInChI=1S/C21H23FN2O2/c1-2-3-6-15-9-11-17(12-10-15)23-21(26)16-13-20(25)24(14-16)19-8-5-4-7-18(19)22/h4-5,7-12,16H,2-3,6,13-14H2,1H3,(H,23,26)/t16-/m1/s1
InChIKeyCZQASAPVAYIPIY-MRXNPFEDSA-N
XLogP4.16
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-N-(4-ethylsulfonylphenyl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 30179761
N-(4-butylphenyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 3107620
(3R)-1-(2-fluorophenyl)-5-oxo-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 8572964
(3R)-N-(4-acetamidophenyl)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7220320
1-(2-ethylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 51148262
1-(2-fluorophenyl)-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 580303
1-(1,3-benzodioxol-5-yl)-N-(4-butylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 108791224
N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 75809403
(3S)-N-(3,5-dichlorophenyl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 124529003
(3S)-1-(2-fluorophenyl)-5-oxo-N-[4-(propan-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide
CID 8623706
3-[4-[[1-(2-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]phenyl]propanoic acid
CID 119252112
N-(4-butylphenyl)-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 55569865

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(4-butylphenyl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-(4-butylphenyl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide (CID 2203536) is (3R)-N-(4-butylphenyl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(4-butylphenyl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-(4-butylphenyl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide is CCCCc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3F)C2)cc1.
What is the InChIKey of (3R)-N-(4-butylphenyl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is CZQASAPVAYIPIY-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H23FN2O2/c1-2-3-6-15-9-11-17(12-10-15)23-21(26)16-13-20(25)24(14-16)19-8-5-4-7-18(19)22/h4-5,7-12,16H,2-3,6,13-14H2,1H3,(H,23,26)/t16-/m1/s1.
What are the key properties of (3R)-N-(4-butylphenyl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
(3R)-N-(4-butylphenyl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 354.43 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(4-butylphenyl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 2203536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).