2-(2-fluorophenyl)-4-methyl-N-(4-methylsulfonylphenyl)pyrrolidine-1-carboxamide

C19H21FN2O3S — CID 154805348

IUPAC2-(2-fluorophenyl)-4-methyl-N-(4-methylsulfonylphenyl)pyrrolidine-1-carboxamide
SMILESCC1CC(c2ccccc2F)N(C(=O)Nc2ccc(S(C)(=O)=O)cc2)C1
InChIInChI=1S/C19H21FN2O3S/c1-13-11-18(16-5-3-4-6-17(16)20)22(12-13)19(23)21-14-7-9-15(10-8-14)26(2,24)25/h3-10,13,18H,11-12H2,1-2H3,(H,21,23)
InChIKeyKDNHLSZVAPEKTM-UHFFFAOYSA-N
MW376.45 g/mol
LogP3.84
Rot. Bonds3

About 2-(2-fluorophenyl)-4-methyl-N-(4-methylsulfonylphenyl)pyrrolidine-1-carboxamide

2-(2-fluorophenyl)-4-methyl-N-(4-methylsulfonylphenyl)pyrrolidine-1-carboxamide (PubChem CID 154805348) has the molecular formula C19H21FN2O3S and a molecular weight of 376.45 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-4-methyl-N-(4-methylsulfonylphenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-(2-fluorophenyl)-4-methyl-N-(4-methylsulfonylphenyl)pyrrolidine-1-carboxamide
PubChem CID154805348
Molecular FormulaC19H21FN2O3S
Molecular Weight376.45 g/mol
Exact Mass376.13
IUPAC Name2-(2-fluorophenyl)-4-methyl-N-(4-methylsulfonylphenyl)pyrrolidine-1-carboxamide
SMILESCC1CC(c2ccccc2F)N(C(=O)Nc2ccc(S(C)(=O)=O)cc2)C1
InChIInChI=1S/C19H21FN2O3S/c1-13-11-18(16-5-3-4-6-17(16)20)22(12-13)19(23)21-14-7-9-15(10-8-14)26(2,24)25/h3-10,13,18H,11-12H2,1-2H3,(H,21,23)
InChIKeyKDNHLSZVAPEKTM-UHFFFAOYSA-N
XLogP3.84
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-4-methyl-N-(4-methylsulfonylphenyl)pyrrolidine-1-carboxamide?
The IUPAC name of 2-(2-fluorophenyl)-4-methyl-N-(4-methylsulfonylphenyl)pyrrolidine-1-carboxamide (CID 154805348) is 2-(2-fluorophenyl)-4-methyl-N-(4-methylsulfonylphenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-(2-fluorophenyl)-4-methyl-N-(4-methylsulfonylphenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for 2-(2-fluorophenyl)-4-methyl-N-(4-methylsulfonylphenyl)pyrrolidine-1-carboxamide is CC1CC(c2ccccc2F)N(C(=O)Nc2ccc(S(C)(=O)=O)cc2)C1.
What is the InChIKey of 2-(2-fluorophenyl)-4-methyl-N-(4-methylsulfonylphenyl)pyrrolidine-1-carboxamide?
The InChIKey is KDNHLSZVAPEKTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3S/c1-13-11-18(16-5-3-4-6-17(16)20)22(12-13)19(23)21-14-7-9-15(10-8-14)26(2,24)25/h3-10,13,18H,11-12H2,1-2H3,(H,21,23).
What are the key properties of 2-(2-fluorophenyl)-4-methyl-N-(4-methylsulfonylphenyl)pyrrolidine-1-carboxamide?
2-(2-fluorophenyl)-4-methyl-N-(4-methylsulfonylphenyl)pyrrolidine-1-carboxamide has a molecular weight of 376.45 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-4-methyl-N-(4-methylsulfonylphenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 154805348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).