N-(2,3-difluorophenyl)-4-(3-methoxyphenyl)-1-methyl-2-oxopyrrolidine-3-carboxamide

C19H18F2N2O3 — CID 134411805

IUPACN-(2,3-difluorophenyl)-4-(3-methoxyphenyl)-1-methyl-2-oxopyrrolidine-3-carboxamide
SMILESCOc1cccc(C2CN(C)C(=O)C2C(=O)Nc2cccc(F)c2F)c1
InChIInChI=1S/C19H18F2N2O3/c1-23-10-13(11-5-3-6-12(9-11)26-2)16(19(23)25)18(24)22-15-8-4-7-14(20)17(15)21/h3-9,13,16H,10H2,1-2H3,(H,22,24)
InChIKeyRIBARQOUOGFFNW-UHFFFAOYSA-N
MW360.36 g/mol
LogP2.78
Rot. Bonds4

About N-(2,3-difluorophenyl)-4-(3-methoxyphenyl)-1-methyl-2-oxopyrrolidine-3-carboxamide

N-(2,3-difluorophenyl)-4-(3-methoxyphenyl)-1-methyl-2-oxopyrrolidine-3-carboxamide (PubChem CID 134411805) has the molecular formula C19H18F2N2O3 and a molecular weight of 360.36 g/mol. Its IUPAC name is N-(2,3-difluorophenyl)-4-(3-methoxyphenyl)-1-methyl-2-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-difluorophenyl)-4-(3-methoxyphenyl)-1-methyl-2-oxopyrrolidine-3-carboxamide
PubChem CID134411805
Molecular FormulaC19H18F2N2O3
Molecular Weight360.36 g/mol
Exact Mass360.13
IUPAC NameN-(2,3-difluorophenyl)-4-(3-methoxyphenyl)-1-methyl-2-oxopyrrolidine-3-carboxamide
SMILESCOc1cccc(C2CN(C)C(=O)C2C(=O)Nc2cccc(F)c2F)c1
InChIInChI=1S/C19H18F2N2O3/c1-23-10-13(11-5-3-6-12(9-11)26-2)16(19(23)25)18(24)22-15-8-4-7-14(20)17(15)21/h3-9,13,16H,10H2,1-2H3,(H,22,24)
InChIKeyRIBARQOUOGFFNW-UHFFFAOYSA-N
XLogP2.78
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.36
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3S,4S)-N-(2,3-difluorophenyl)-4-(4-methoxyphenyl)-1-methyl-2-oxopyrrolidine-3-carboxamide
CID 134412202
(3R,4R)-N-(2,3-difluorophenyl)-4-(3-methoxy-5-methylphenyl)-1-methyl-2-oxopyrrolidine-3-carboxamide
CID 134412693
N-(2,3-difluorophenyl)-4-(4-methoxy-3,5-dimethylphenyl)-1-methyl-2-oxopyrrolidine-3-carboxamide
CID 134412548
(3R,4R)-4-(4-chloro-3-methoxyphenyl)-N-(2,3-difluorophenyl)-1-methyl-2-oxopyrrolidine-3-carboxamide
CID 134412328
(3R,4R)-N-(2,3-difluorophenyl)-4-(3-ethenyl-5-phenoxyphenyl)-1-methyl-2-oxopyrrolidine-3-carboxamide
CID 134412658
N-(2,3-difluorophenyl)-4-(4-ethoxy-3-methylphenyl)-1-methyl-2-oxopyrrolidine-3-carboxamide
CID 134412556
(3S,4S)-N-(2,3-difluorophenyl)-4-[3-fluoro-5-(trifluoromethyl)phenyl]-1-methyl-2-oxopyrrolidine-3-carboxamide
CID 134412113
(3S,4S)-N-(2,3-difluorophenyl)-1-methyl-4-(6-methylpyridazin-4-yl)-2-oxopyrrolidine-3-carboxamide
CID 134412503
[2-fluoro-5-[4-[(2-fluorophenyl)carbamoyl]-1-methyl-5-oxopyrrolidin-3-yl]phenyl]thallium
CID 163597452
(3S,4S)-4-(3-fluorophenyl)-1-methyl-2-oxo-N-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 134416094
(3S,4S)-1-methyl-2-oxo-4-[3-(trifluoromethoxy)phenyl]-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide
CID 134411737
(3S,4S)-N-(2-fluorophenyl)-1-methyl-2-oxo-4-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 134411876

Frequently Asked Questions

What is the IUPAC name of N-(2,3-difluorophenyl)-4-(3-methoxyphenyl)-1-methyl-2-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(2,3-difluorophenyl)-4-(3-methoxyphenyl)-1-methyl-2-oxopyrrolidine-3-carboxamide (CID 134411805) is N-(2,3-difluorophenyl)-4-(3-methoxyphenyl)-1-methyl-2-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2,3-difluorophenyl)-4-(3-methoxyphenyl)-1-methyl-2-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(2,3-difluorophenyl)-4-(3-methoxyphenyl)-1-methyl-2-oxopyrrolidine-3-carboxamide is COc1cccc(C2CN(C)C(=O)C2C(=O)Nc2cccc(F)c2F)c1.
What is the InChIKey of N-(2,3-difluorophenyl)-4-(3-methoxyphenyl)-1-methyl-2-oxopyrrolidine-3-carboxamide?
The InChIKey is RIBARQOUOGFFNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N2O3/c1-23-10-13(11-5-3-6-12(9-11)26-2)16(19(23)25)18(24)22-15-8-4-7-14(20)17(15)21/h3-9,13,16H,10H2,1-2H3,(H,22,24).
What are the key properties of N-(2,3-difluorophenyl)-4-(3-methoxyphenyl)-1-methyl-2-oxopyrrolidine-3-carboxamide?
N-(2,3-difluorophenyl)-4-(3-methoxyphenyl)-1-methyl-2-oxopyrrolidine-3-carboxamide has a molecular weight of 360.36 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-difluorophenyl)-4-(3-methoxyphenyl)-1-methyl-2-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 134411805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).