(3R,4S)-N-(2,4-difluorophenyl)-4-(3-ethoxyphenyl)-2-oxopyrrolidine-3-carboxamide

C19H18F2N2O3 — CID 134411875

IUPAC(3R,4S)-N-(2,4-difluorophenyl)-4-(3-ethoxyphenyl)-2-oxopyrrolidine-3-carboxamide
SMILESCCOc1cccc([C@H]2CNC(=O)[C@@H]2C(=O)Nc2ccc(F)cc2F)c1
InChIInChI=1S/C19H18F2N2O3/c1-2-26-13-5-3-4-11(8-13)14-10-22-18(24)17(14)19(25)23-16-7-6-12(20)9-15(16)21/h3-9,14,17H,2,10H2,1H3,(H,22,24)(H,23,25)/t14-,17-/m1/s1
InChIKeyFMXOCGCNNUKQBM-RHSMWYFYSA-N
MW360.36 g/mol
LogP2.83
Rot. Bonds5

About (3R,4S)-N-(2,4-difluorophenyl)-4-(3-ethoxyphenyl)-2-oxopyrrolidine-3-carboxamide

(3R,4S)-N-(2,4-difluorophenyl)-4-(3-ethoxyphenyl)-2-oxopyrrolidine-3-carboxamide (PubChem CID 134411875) has the molecular formula C19H18F2N2O3 and a molecular weight of 360.36 g/mol. Its IUPAC name is (3R,4S)-N-(2,4-difluorophenyl)-4-(3-ethoxyphenyl)-2-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R,4S)-N-(2,4-difluorophenyl)-4-(3-ethoxyphenyl)-2-oxopyrrolidine-3-carboxamide
PubChem CID134411875
Molecular FormulaC19H18F2N2O3
Molecular Weight360.36 g/mol
Exact Mass360.13
IUPAC Name(3R,4S)-N-(2,4-difluorophenyl)-4-(3-ethoxyphenyl)-2-oxopyrrolidine-3-carboxamide
SMILESCCOc1cccc([C@H]2CNC(=O)[C@@H]2C(=O)Nc2ccc(F)cc2F)c1
InChIInChI=1S/C19H18F2N2O3/c1-2-26-13-5-3-4-11(8-13)14-10-22-18(24)17(14)19(25)23-16-7-6-12(20)9-15(16)21/h3-9,14,17H,2,10H2,1H3,(H,22,24)(H,23,25)/t14-,17-/m1/s1
InChIKeyFMXOCGCNNUKQBM-RHSMWYFYSA-N
XLogP2.83
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.36
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3R,4S)-N-(2,4-difluorophenyl)-4-[3-(2-methylpropoxy)phenyl]-2-oxopyrrolidine-3-carboxamide
CID 134411890
(3R,4S)-4-(4-chloro-3-methylphenyl)-N-(2,4-difluorophenyl)-2-oxopyrrolidine-3-carboxamide
CID 134411721
N-(2,4-difluorophenyl)-1-(4-ethoxyphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide
CID 78348162
(3R,4S)-N-(3-fluoro-2-methylphenyl)-4-(3-fluoro-5-methylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 134412184
(3R,4S)-4-[3-(1,1-difluoroethyl)phenyl]-N-(2,3-difluorophenyl)-2-oxopyrrolidine-3-carboxamide
CID 134411708
methyl (4S)-4-(3-methoxyphenyl)-2-oxopyrrolidine-3-carboxylate
CID 134409869
4-[4-[difluoro(phosphanyl)methyl]phenyl]-N-(2-fluorophenyl)-2-oxopyrrolidine-3-carboxamide
CID 170046491
4-(4-ethoxy-2,6-difluorophenyl)-2-oxopyrrolidine-3-carboxylic acid
CID 126643866
1-(2,5-diethoxyphenyl)-3-(2,4-difluorophenyl)urea
CID 46859658
(3R,4S)-N-(2,3-difluorophenyl)-4-(1-methylindol-6-yl)-2-oxopyrrolidine-3-carboxamide
CID 134412150
1-[(3S,4R)-4-(4-ethoxy-2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-3-(4-fluorophenyl)urea
CID 122582973
1-N,4-N-bis(2,4-difluorophenyl)cyclohexane-1,4-dicarboxamide
CID 26722049

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-N-(2,4-difluorophenyl)-4-(3-ethoxyphenyl)-2-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R,4S)-N-(2,4-difluorophenyl)-4-(3-ethoxyphenyl)-2-oxopyrrolidine-3-carboxamide (CID 134411875) is (3R,4S)-N-(2,4-difluorophenyl)-4-(3-ethoxyphenyl)-2-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R,4S)-N-(2,4-difluorophenyl)-4-(3-ethoxyphenyl)-2-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R,4S)-N-(2,4-difluorophenyl)-4-(3-ethoxyphenyl)-2-oxopyrrolidine-3-carboxamide is CCOc1cccc([C@H]2CNC(=O)[C@@H]2C(=O)Nc2ccc(F)cc2F)c1.
What is the InChIKey of (3R,4S)-N-(2,4-difluorophenyl)-4-(3-ethoxyphenyl)-2-oxopyrrolidine-3-carboxamide?
The InChIKey is FMXOCGCNNUKQBM-RHSMWYFYSA-N. The full InChI is InChI=1S/C19H18F2N2O3/c1-2-26-13-5-3-4-11(8-13)14-10-22-18(24)17(14)19(25)23-16-7-6-12(20)9-15(16)21/h3-9,14,17H,2,10H2,1H3,(H,22,24)(H,23,25)/t14-,17-/m1/s1.
What are the key properties of (3R,4S)-N-(2,4-difluorophenyl)-4-(3-ethoxyphenyl)-2-oxopyrrolidine-3-carboxamide?
(3R,4S)-N-(2,4-difluorophenyl)-4-(3-ethoxyphenyl)-2-oxopyrrolidine-3-carboxamide has a molecular weight of 360.36 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-N-(2,4-difluorophenyl)-4-(3-ethoxyphenyl)-2-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 134411875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).