(2R)-N-(4-ethoxyphenyl)-2-(3-fluorophenyl)pyrrolidine-1-carboxamide

C19H21FN2O2 — CID 51855796

IUPAC(2R)-N-(4-ethoxyphenyl)-2-(3-fluorophenyl)pyrrolidine-1-carboxamide
SMILESCCOc1ccc(NC(=O)N2CCC[C@@H]2c2cccc(F)c2)cc1
InChIInChI=1S/C19H21FN2O2/c1-2-24-17-10-8-16(9-11-17)21-19(23)22-12-4-7-18(22)14-5-3-6-15(20)13-14/h3,5-6,8-11,13,18H,2,4,7,12H2,1H3,(H,21,23)/t18-/m1/s1
InChIKeyTUMXZLJMZZQURE-GOSISDBHSA-N
MW328.39 g/mol
LogP4.59
Rot. Bonds4

About (2R)-N-(4-ethoxyphenyl)-2-(3-fluorophenyl)pyrrolidine-1-carboxamide

(2R)-N-(4-ethoxyphenyl)-2-(3-fluorophenyl)pyrrolidine-1-carboxamide (PubChem CID 51855796) has the molecular formula C19H21FN2O2 and a molecular weight of 328.39 g/mol. Its IUPAC name is (2R)-N-(4-ethoxyphenyl)-2-(3-fluorophenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-(4-ethoxyphenyl)-2-(3-fluorophenyl)pyrrolidine-1-carboxamide
PubChem CID51855796
Molecular FormulaC19H21FN2O2
Molecular Weight328.39 g/mol
Exact Mass328.16
IUPAC Name(2R)-N-(4-ethoxyphenyl)-2-(3-fluorophenyl)pyrrolidine-1-carboxamide
SMILESCCOc1ccc(NC(=O)N2CCC[C@@H]2c2cccc(F)c2)cc1
InChIInChI=1S/C19H21FN2O2/c1-2-24-17-10-8-16(9-11-17)21-19(23)22-12-4-7-18(22)14-5-3-6-15(20)13-14/h3,5-6,8-11,13,18H,2,4,7,12H2,1H3,(H,21,23)/t18-/m1/s1
InChIKeyTUMXZLJMZZQURE-GOSISDBHSA-N
XLogP4.59
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-(4-ethoxyphenyl)-2-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 51855939
N-(3,4-dimethylphenyl)-2-(3-fluorophenyl)pyrrolidine-1-carboxamide
CID 50746912
methyl N-[3-[[2-(3-fluorophenyl)pyrrolidine-1-carbonyl]amino]phenyl]carbamate
CID 87035285
N-(2,4-difluorophenyl)-2-(4-ethoxyphenyl)pyrrolidine-1-carboxamide
CID 51223443
2-(4-ethoxyphenyl)-N-(4-methylsulfonylphenyl)pyrrolidine-1-carboxamide
CID 86987525
N-(4-ethoxyphenyl)-2-(4-methylphenyl)azepane-1-carboxamide
CID 53096328
(2S)-2-(3-fluorophenyl)-N-propylpyrrolidine-1-carboxamide
CID 95053549
N-(4-ethoxyphenyl)-2-oxo-2-(2-phenylpyrrolidin-1-yl)acetamide
CID 60551873
(2S)-N-(1,3-benzodioxol-5-yl)-2-(3-fluorophenyl)pyrrolidine-1-carboxamide
CID 51694842
(2R)-N-(2,4-difluorophenyl)-2-(3-fluorophenyl)pyrrolidine-1-carboxamide
CID 51856636
1-[(4-ethoxyphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 23607540
(2S)-2-(3-methylphenyl)-N-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 51856238

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-ethoxyphenyl)-2-(3-fluorophenyl)pyrrolidine-1-carboxamide?
The IUPAC name of (2R)-N-(4-ethoxyphenyl)-2-(3-fluorophenyl)pyrrolidine-1-carboxamide (CID 51855796) is (2R)-N-(4-ethoxyphenyl)-2-(3-fluorophenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-N-(4-ethoxyphenyl)-2-(3-fluorophenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-N-(4-ethoxyphenyl)-2-(3-fluorophenyl)pyrrolidine-1-carboxamide is CCOc1ccc(NC(=O)N2CCC[C@@H]2c2cccc(F)c2)cc1.
What is the InChIKey of (2R)-N-(4-ethoxyphenyl)-2-(3-fluorophenyl)pyrrolidine-1-carboxamide?
The InChIKey is TUMXZLJMZZQURE-GOSISDBHSA-N. The full InChI is InChI=1S/C19H21FN2O2/c1-2-24-17-10-8-16(9-11-17)21-19(23)22-12-4-7-18(22)14-5-3-6-15(20)13-14/h3,5-6,8-11,13,18H,2,4,7,12H2,1H3,(H,21,23)/t18-/m1/s1.
What are the key properties of (2R)-N-(4-ethoxyphenyl)-2-(3-fluorophenyl)pyrrolidine-1-carboxamide?
(2R)-N-(4-ethoxyphenyl)-2-(3-fluorophenyl)pyrrolidine-1-carboxamide has a molecular weight of 328.39 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-ethoxyphenyl)-2-(3-fluorophenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 51855796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).