(3R,4S)-N-(3-fluoro-2-methylphenyl)-4-(3-fluoro-5-methylphenyl)-2-oxopyrrolidine-3-carboxamide

C19H18F2N2O2 — CID 134412184

IUPAC(3R,4S)-N-(3-fluoro-2-methylphenyl)-4-(3-fluoro-5-methylphenyl)-2-oxopyrrolidine-3-carboxamide
SMILESCc1cc(F)cc([C@H]2CNC(=O)[C@@H]2C(=O)Nc2cccc(F)c2C)c1
InChIInChI=1S/C19H18F2N2O2/c1-10-6-12(8-13(20)7-10)14-9-22-18(24)17(14)19(25)23-16-5-3-4-15(21)11(16)2/h3-8,14,17H,9H2,1-2H3,(H,22,24)(H,23,25)/t14-,17-/m1/s1
InChIKeyJWIXQGUUZABHGR-RHSMWYFYSA-N
MW344.36 g/mol
LogP3.05
Rot. Bonds3

About (3R,4S)-N-(3-fluoro-2-methylphenyl)-4-(3-fluoro-5-methylphenyl)-2-oxopyrrolidine-3-carboxamide

(3R,4S)-N-(3-fluoro-2-methylphenyl)-4-(3-fluoro-5-methylphenyl)-2-oxopyrrolidine-3-carboxamide (PubChem CID 134412184) has the molecular formula C19H18F2N2O2 and a molecular weight of 344.36 g/mol. Its IUPAC name is (3R,4S)-N-(3-fluoro-2-methylphenyl)-4-(3-fluoro-5-methylphenyl)-2-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R,4S)-N-(3-fluoro-2-methylphenyl)-4-(3-fluoro-5-methylphenyl)-2-oxopyrrolidine-3-carboxamide
PubChem CID134412184
Molecular FormulaC19H18F2N2O2
Molecular Weight344.36 g/mol
Exact Mass344.13
IUPAC Name(3R,4S)-N-(3-fluoro-2-methylphenyl)-4-(3-fluoro-5-methylphenyl)-2-oxopyrrolidine-3-carboxamide
SMILESCc1cc(F)cc([C@H]2CNC(=O)[C@@H]2C(=O)Nc2cccc(F)c2C)c1
InChIInChI=1S/C19H18F2N2O2/c1-10-6-12(8-13(20)7-10)14-9-22-18(24)17(14)19(25)23-16-5-3-4-15(21)11(16)2/h3-8,14,17H,9H2,1-2H3,(H,22,24)(H,23,25)/t14-,17-/m1/s1
InChIKeyJWIXQGUUZABHGR-RHSMWYFYSA-N
XLogP3.05
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.36
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-N-(3-fluoro-2-methylphenyl)-4-(3-fluoro-5-methylphenyl)-2-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R,4S)-N-(3-fluoro-2-methylphenyl)-4-(3-fluoro-5-methylphenyl)-2-oxopyrrolidine-3-carboxamide (CID 134412184) is (3R,4S)-N-(3-fluoro-2-methylphenyl)-4-(3-fluoro-5-methylphenyl)-2-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R,4S)-N-(3-fluoro-2-methylphenyl)-4-(3-fluoro-5-methylphenyl)-2-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R,4S)-N-(3-fluoro-2-methylphenyl)-4-(3-fluoro-5-methylphenyl)-2-oxopyrrolidine-3-carboxamide is Cc1cc(F)cc([C@H]2CNC(=O)[C@@H]2C(=O)Nc2cccc(F)c2C)c1.
What is the InChIKey of (3R,4S)-N-(3-fluoro-2-methylphenyl)-4-(3-fluoro-5-methylphenyl)-2-oxopyrrolidine-3-carboxamide?
The InChIKey is JWIXQGUUZABHGR-RHSMWYFYSA-N. The full InChI is InChI=1S/C19H18F2N2O2/c1-10-6-12(8-13(20)7-10)14-9-22-18(24)17(14)19(25)23-16-5-3-4-15(21)11(16)2/h3-8,14,17H,9H2,1-2H3,(H,22,24)(H,23,25)/t14-,17-/m1/s1.
What are the key properties of (3R,4S)-N-(3-fluoro-2-methylphenyl)-4-(3-fluoro-5-methylphenyl)-2-oxopyrrolidine-3-carboxamide?
(3R,4S)-N-(3-fluoro-2-methylphenyl)-4-(3-fluoro-5-methylphenyl)-2-oxopyrrolidine-3-carboxamide has a molecular weight of 344.36 g/mol, XLogP of 3.05, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-N-(3-fluoro-2-methylphenyl)-4-(3-fluoro-5-methylphenyl)-2-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 134412184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).