(3R)-N-(4-methyl-2-nitrophenyl)-1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide

C19H19N3O4 — CID 7379264

IUPAC(3R)-N-(4-methyl-2-nitrophenyl)-1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1cccc(N2C[C@H](C(=O)Nc3ccc(C)cc3[N+](=O)[O-])CC2=O)c1
InChIInChI=1S/C19H19N3O4/c1-12-4-3-5-15(8-12)21-11-14(10-18(21)23)19(24)20-16-7-6-13(2)9-17(16)22(25)26/h3-9,14H,10-11H2,1-2H3,(H,20,24)/t14-/m1/s1
InChIKeyXGHSTKAPEQSPCI-CQSZACIVSA-N
MW353.38 g/mol
LogP3.20
Rot. Bonds4

About (3R)-N-(4-methyl-2-nitrophenyl)-1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide

(3R)-N-(4-methyl-2-nitrophenyl)-1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 7379264) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is (3R)-N-(4-methyl-2-nitrophenyl)-1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(4-methyl-2-nitrophenyl)-1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID7379264
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC Name(3R)-N-(4-methyl-2-nitrophenyl)-1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1cccc(N2C[C@H](C(=O)Nc3ccc(C)cc3[N+](=O)[O-])CC2=O)c1
InChIInChI=1S/C19H19N3O4/c1-12-4-3-5-15(8-12)21-11-14(10-18(21)23)19(24)20-16-7-6-13(2)9-17(16)22(25)26/h3-9,14H,10-11H2,1-2H3,(H,20,24)/t14-/m1/s1
InChIKeyXGHSTKAPEQSPCI-CQSZACIVSA-N
XLogP3.20
TPSA92.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-bromo-4-nitrophenyl)-1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 3379395
(3R)-N-(2-methyl-5-nitrophenyl)-1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 28892321
(3S)-N-(4-chloro-2-nitrophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 7366806
(3S)-1-(3-chlorophenyl)-N-(2-methyl-3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 51935639
(3S)-N-(3,5-dimethylphenyl)-1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 93017598
1-(3-methylphenyl)-N-(2-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 6491186
(3R)-N-methyl-1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 28892198
N-(2-methyl-4-nitrophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 17080530
(3S)-N-(2,3-dichlorophenyl)-1-(4-methyl-3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 9056655
(3R)-N-(2,6-dimethylphenyl)-1-(4-methyl-3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 9056624
1-(3-acetylphenyl)-N-(2,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113188811
4-[[(3S)-1-(3-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 9005077

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(4-methyl-2-nitrophenyl)-1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-(4-methyl-2-nitrophenyl)-1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 7379264) is (3R)-N-(4-methyl-2-nitrophenyl)-1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(4-methyl-2-nitrophenyl)-1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-(4-methyl-2-nitrophenyl)-1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide is Cc1cccc(N2C[C@H](C(=O)Nc3ccc(C)cc3[N+](=O)[O-])CC2=O)c1.
What is the InChIKey of (3R)-N-(4-methyl-2-nitrophenyl)-1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is XGHSTKAPEQSPCI-CQSZACIVSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-12-4-3-5-15(8-12)21-11-14(10-18(21)23)19(24)20-16-7-6-13(2)9-17(16)22(25)26/h3-9,14H,10-11H2,1-2H3,(H,20,24)/t14-/m1/s1.
What are the key properties of (3R)-N-(4-methyl-2-nitrophenyl)-1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
(3R)-N-(4-methyl-2-nitrophenyl)-1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 353.38 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(4-methyl-2-nitrophenyl)-1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 7379264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).