(3R)-N-(2,4-difluorophenyl)-1-(2,3-dimethylphenyl)-2-oxopyrrolidine-3-carboxamide

C19H18F2N2O2 — CID 92991057

IUPAC(3R)-N-(2,4-difluorophenyl)-1-(2,3-dimethylphenyl)-2-oxopyrrolidine-3-carboxamide
SMILESCc1cccc(N2CC[C@H](C(=O)Nc3ccc(F)cc3F)C2=O)c1C
InChIInChI=1S/C19H18F2N2O2/c1-11-4-3-5-17(12(11)2)23-9-8-14(19(23)25)18(24)22-16-7-6-13(20)10-15(16)21/h3-7,10,14H,8-9H2,1-2H3,(H,22,24)/t14-/m1/s1
InChIKeyBDVQMZMZZOEUJL-CQSZACIVSA-N
MW344.36 g/mol
LogP3.57
Rot. Bonds3

About (3R)-N-(2,4-difluorophenyl)-1-(2,3-dimethylphenyl)-2-oxopyrrolidine-3-carboxamide

(3R)-N-(2,4-difluorophenyl)-1-(2,3-dimethylphenyl)-2-oxopyrrolidine-3-carboxamide (PubChem CID 92991057) has the molecular formula C19H18F2N2O2 and a molecular weight of 344.36 g/mol. Its IUPAC name is (3R)-N-(2,4-difluorophenyl)-1-(2,3-dimethylphenyl)-2-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(2,4-difluorophenyl)-1-(2,3-dimethylphenyl)-2-oxopyrrolidine-3-carboxamide
PubChem CID92991057
Molecular FormulaC19H18F2N2O2
Molecular Weight344.36 g/mol
Exact Mass344.13
IUPAC Name(3R)-N-(2,4-difluorophenyl)-1-(2,3-dimethylphenyl)-2-oxopyrrolidine-3-carboxamide
SMILESCc1cccc(N2CC[C@H](C(=O)Nc3ccc(F)cc3F)C2=O)c1C
InChIInChI=1S/C19H18F2N2O2/c1-11-4-3-5-17(12(11)2)23-9-8-14(19(23)25)18(24)22-16-7-6-13(20)10-15(16)21/h3-7,10,14H,8-9H2,1-2H3,(H,22,24)/t14-/m1/s1
InChIKeyBDVQMZMZZOEUJL-CQSZACIVSA-N
XLogP3.57
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.36
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3S)-1-(2,3-dimethylphenyl)-N-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 93330491
(3R)-1-(3-fluoro-2-methylphenyl)-N-(4-methoxyphenyl)-2-oxopyrrolidine-3-carboxamide
CID 93331069
(2S)-N-(2,4-difluorophenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanamide
CID 9460044
(3S)-N-(2-fluoro-4-methylphenyl)-1-methyl-2-oxopyrrolidine-3-carboxamide
CID 155055305
1-(4-fluoro-3-methylphenyl)-N-(4-fluorophenyl)-2-oxopyrrolidine-3-carboxamide
CID 42863497
1-(2,3-dimethylphenyl)-N-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 42997101
3-(4-acetylpiperazine-1-carbonyl)-1-(2,4-difluorophenyl)pyrrolidin-2-one
CID 42853506
N-ethyl-1-(2-methylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 42656575
1-N,4-N-bis(2,4-difluorophenyl)cyclohexane-1,4-dicarboxamide
CID 26722049
4-bromo-3-chloro-1-methylpyrazole;(3S)-N-(2,4-difluorophenyl)-1-methyl-2-oxopyrrolidine-3-carboxamide
CID 154673470
(3R)-N-(5-chloro-2-fluorophenyl)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 51532988
1-(4-fluorophenyl)-N-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 42853639

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(2,4-difluorophenyl)-1-(2,3-dimethylphenyl)-2-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-(2,4-difluorophenyl)-1-(2,3-dimethylphenyl)-2-oxopyrrolidine-3-carboxamide (CID 92991057) is (3R)-N-(2,4-difluorophenyl)-1-(2,3-dimethylphenyl)-2-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(2,4-difluorophenyl)-1-(2,3-dimethylphenyl)-2-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-(2,4-difluorophenyl)-1-(2,3-dimethylphenyl)-2-oxopyrrolidine-3-carboxamide is Cc1cccc(N2CC[C@H](C(=O)Nc3ccc(F)cc3F)C2=O)c1C.
What is the InChIKey of (3R)-N-(2,4-difluorophenyl)-1-(2,3-dimethylphenyl)-2-oxopyrrolidine-3-carboxamide?
The InChIKey is BDVQMZMZZOEUJL-CQSZACIVSA-N. The full InChI is InChI=1S/C19H18F2N2O2/c1-11-4-3-5-17(12(11)2)23-9-8-14(19(23)25)18(24)22-16-7-6-13(20)10-15(16)21/h3-7,10,14H,8-9H2,1-2H3,(H,22,24)/t14-/m1/s1.
What are the key properties of (3R)-N-(2,4-difluorophenyl)-1-(2,3-dimethylphenyl)-2-oxopyrrolidine-3-carboxamide?
(3R)-N-(2,4-difluorophenyl)-1-(2,3-dimethylphenyl)-2-oxopyrrolidine-3-carboxamide has a molecular weight of 344.36 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(2,4-difluorophenyl)-1-(2,3-dimethylphenyl)-2-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 92991057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).