(2R,3R)-N-(3-cyanophenyl)-2-(4-fluorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide

C19H16FN3O2 — CID 95740503

IUPAC(2R,3R)-N-(3-cyanophenyl)-2-(4-fluorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCN1C(=O)C[C@@H](C(=O)Nc2cccc(C#N)c2)[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C19H16FN3O2/c1-23-17(24)10-16(18(23)13-5-7-14(20)8-6-13)19(25)22-15-4-2-3-12(9-15)11-21/h2-9,16,18H,10H2,1H3,(H,22,25)/t16-,18+/m1/s1
InChIKeyAZMRXVGVAXJSGI-AEFFLSMTSA-N
MW337.35 g/mol
LogP2.86
Rot. Bonds3

About (2R,3R)-N-(3-cyanophenyl)-2-(4-fluorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide

(2R,3R)-N-(3-cyanophenyl)-2-(4-fluorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 95740503) has the molecular formula C19H16FN3O2 and a molecular weight of 337.35 g/mol. Its IUPAC name is (2R,3R)-N-(3-cyanophenyl)-2-(4-fluorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(2R,3R)-N-(3-cyanophenyl)-2-(4-fluorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
PubChem CID95740503
Molecular FormulaC19H16FN3O2
Molecular Weight337.35 g/mol
Exact Mass337.12
IUPAC Name(2R,3R)-N-(3-cyanophenyl)-2-(4-fluorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCN1C(=O)C[C@@H](C(=O)Nc2cccc(C#N)c2)[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C19H16FN3O2/c1-23-17(24)10-16(18(23)13-5-7-14(20)8-6-13)19(25)22-15-4-2-3-12(9-15)11-21/h2-9,16,18H,10H2,1H3,(H,22,25)/t16-,18+/m1/s1
InChIKeyAZMRXVGVAXJSGI-AEFFLSMTSA-N
XLogP2.86
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3S)-N-(3-cyanophenyl)-2-(4-methoxyphenyl)-1-methyl-6-oxopiperidine-3-carboxamide
CID 95740327
(2S,3R)-N-(3-cyanophenyl)-2-(4-methoxyphenyl)-1-methyl-6-oxopiperidine-3-carboxamide
CID 95740324
5-[[2-(4-fluorophenyl)-1-methyl-5-oxopyrrolidine-3-carbonyl]amino]-2-methylbenzoic acid
CID 120528918
(2R,3R)-2-(4-fluorophenyl)-1-methyl-N-[(3-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 95740374
(2R,3S)-2-(4-fluorophenyl)-1-methyl-6-oxo-N-phenylpiperidine-3-carboxamide
CID 97457685
N-(4-hydroxyphenyl)-1-methyl-5-oxo-2-phenylpyrrolidine-3-carboxamide
CID 42651384
(2R,3S)-N-(4-hydroxyphenyl)-1-methyl-5-oxo-2-phenylpyrrolidine-3-carboxamide
CID 29131499
2-(4-fluorophenyl)-1-methyl-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide
CID 71689623
1-N-(3-cyanophenyl)-2-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141101
(2R,3S)-2-(4-fluorophenyl)-1-methyl-5-oxo-N-propylsulfonylpyrrolidine-3-carboxamide
CID 124572424
(2S,3R)-N-(3-chlorophenyl)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide
CID 95346327
3-[2-[[2-(4-fluorophenyl)-1-methyl-5-oxopyrrolidine-3-carbonyl]amino]ethyl]benzoic acid
CID 120535485

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-N-(3-cyanophenyl)-2-(4-fluorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (2R,3R)-N-(3-cyanophenyl)-2-(4-fluorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide (CID 95740503) is (2R,3R)-N-(3-cyanophenyl)-2-(4-fluorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (2R,3R)-N-(3-cyanophenyl)-2-(4-fluorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (2R,3R)-N-(3-cyanophenyl)-2-(4-fluorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide is CN1C(=O)C[C@@H](C(=O)Nc2cccc(C#N)c2)[C@@H]1c1ccc(F)cc1.
What is the InChIKey of (2R,3R)-N-(3-cyanophenyl)-2-(4-fluorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is AZMRXVGVAXJSGI-AEFFLSMTSA-N. The full InChI is InChI=1S/C19H16FN3O2/c1-23-17(24)10-16(18(23)13-5-7-14(20)8-6-13)19(25)22-15-4-2-3-12(9-15)11-21/h2-9,16,18H,10H2,1H3,(H,22,25)/t16-,18+/m1/s1.
What are the key properties of (2R,3R)-N-(3-cyanophenyl)-2-(4-fluorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide?
(2R,3R)-N-(3-cyanophenyl)-2-(4-fluorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 337.35 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N-(3-cyanophenyl)-2-(4-fluorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 95740503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).