4-methyl-3-nitro-N-[2-(3-phenylpyrrolidine-1-carbonyl)phenyl]benzamide

C25H23N3O4 — CID 43903885

IUPAC4-methyl-3-nitro-N-[2-(3-phenylpyrrolidine-1-carbonyl)phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2ccccc2C(=O)N2CCC(c3ccccc3)C2)cc1[N+](=O)[O-]
InChIInChI=1S/C25H23N3O4/c1-17-11-12-19(15-23(17)28(31)32)24(29)26-22-10-6-5-9-21(22)25(30)27-14-13-20(16-27)18-7-3-2-4-8-18/h2-12,15,20H,13-14,16H2,1H3,(H,26,29)
InChIKeySSWSLOXQPFBJAD-UHFFFAOYSA-N
MW429.48 g/mol
LogP4.79
Rot. Bonds5

About 4-methyl-3-nitro-N-[2-(3-phenylpyrrolidine-1-carbonyl)phenyl]benzamide

4-methyl-3-nitro-N-[2-(3-phenylpyrrolidine-1-carbonyl)phenyl]benzamide (PubChem CID 43903885) has the molecular formula C25H23N3O4 and a molecular weight of 429.48 g/mol. Its IUPAC name is 4-methyl-3-nitro-N-[2-(3-phenylpyrrolidine-1-carbonyl)phenyl]benzamide.

Molecular Properties

Compound Name4-methyl-3-nitro-N-[2-(3-phenylpyrrolidine-1-carbonyl)phenyl]benzamide
PubChem CID43903885
Molecular FormulaC25H23N3O4
Molecular Weight429.48 g/mol
Exact Mass429.17
IUPAC Name4-methyl-3-nitro-N-[2-(3-phenylpyrrolidine-1-carbonyl)phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2ccccc2C(=O)N2CCC(c3ccccc3)C2)cc1[N+](=O)[O-]
InChIInChI=1S/C25H23N3O4/c1-17-11-12-19(15-23(17)28(31)32)24(29)26-22-10-6-5-9-21(22)25(30)27-14-13-20(16-27)18-7-3-2-4-8-18/h2-12,15,20H,13-14,16H2,1H3,(H,26,29)
InChIKeySSWSLOXQPFBJAD-UHFFFAOYSA-N
XLogP4.79
TPSA92.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 54.79
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

2-methyl-3-nitro-N-[2-(3-phenylpyrrolidine-1-carbonyl)phenyl]benzamide
CID 43903884
N-[2-(3-phenylpyrrolidine-1-carbonyl)phenyl]-4-propan-2-ylbenzamide
CID 43903864
2-chloro-5-nitro-N-[2-(3-phenylpyrrolidine-1-carbonyl)phenyl]benzamide
CID 43903889
N-(2-benzoylphenyl)-4-methyl-3-nitrobenzamide
CID 99997717
N-[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-3-methyl-4-nitrobenzamide
CID 42944721
4-methylsulfanyl-3-nitro-N-[2-(piperidine-1-carbonyl)phenyl]benzamide
CID 26905323
N-[2-[[(2R)-butan-2-yl]carbamoyl]phenyl]-4-methyl-3-nitrobenzamide
CID 40820702
ethyl 4-[2-[(3-methyl-4-nitrobenzoyl)amino]benzoyl]piperazine-1-carboxylate
CID 17311598
N-[2-(4-methylpiperidine-1-carbonyl)phenyl]-4-nitrobenzamide
CID 4939305
N-[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-4-methoxy-3-nitrobenzamide
CID 42893742
N-[2-(3-phenylpyrrolidine-1-carbonyl)phenyl]pentanamide
CID 43903944
1-[2-[(3,4-dimethylbenzoyl)amino]benzoyl]piperidine-4-carboxamide
CID 55645237

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-nitro-N-[2-(3-phenylpyrrolidine-1-carbonyl)phenyl]benzamide?
The IUPAC name of 4-methyl-3-nitro-N-[2-(3-phenylpyrrolidine-1-carbonyl)phenyl]benzamide (CID 43903885) is 4-methyl-3-nitro-N-[2-(3-phenylpyrrolidine-1-carbonyl)phenyl]benzamide.
What is the SMILES notation for 4-methyl-3-nitro-N-[2-(3-phenylpyrrolidine-1-carbonyl)phenyl]benzamide?
The canonical SMILES for 4-methyl-3-nitro-N-[2-(3-phenylpyrrolidine-1-carbonyl)phenyl]benzamide is Cc1ccc(C(=O)Nc2ccccc2C(=O)N2CCC(c3ccccc3)C2)cc1[N+](=O)[O-].
What is the InChIKey of 4-methyl-3-nitro-N-[2-(3-phenylpyrrolidine-1-carbonyl)phenyl]benzamide?
The InChIKey is SSWSLOXQPFBJAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O4/c1-17-11-12-19(15-23(17)28(31)32)24(29)26-22-10-6-5-9-21(22)25(30)27-14-13-20(16-27)18-7-3-2-4-8-18/h2-12,15,20H,13-14,16H2,1H3,(H,26,29).
What are the key properties of 4-methyl-3-nitro-N-[2-(3-phenylpyrrolidine-1-carbonyl)phenyl]benzamide?
4-methyl-3-nitro-N-[2-(3-phenylpyrrolidine-1-carbonyl)phenyl]benzamide has a molecular weight of 429.48 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-nitro-N-[2-(3-phenylpyrrolidine-1-carbonyl)phenyl]benzamide is sourced from PubChem (CID 43903885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).