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

C25H23N3O4 — CID 43903884

IUPAC2-methyl-3-nitro-N-[2-(3-phenylpyrrolidine-1-carbonyl)phenyl]benzamide
SMILESCc1c(C(=O)Nc2ccccc2C(=O)N2CCC(c3ccccc3)C2)cccc1[N+](=O)[O-]
InChIInChI=1S/C25H23N3O4/c1-17-20(11-7-13-23(17)28(31)32)24(29)26-22-12-6-5-10-21(22)25(30)27-15-14-19(16-27)18-8-3-2-4-9-18/h2-13,19H,14-16H2,1H3,(H,26,29)
InChIKeyCQLVPEMQNOADOO-UHFFFAOYSA-N
MW429.48 g/mol
LogP4.79
Rot. Bonds5

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

2-methyl-3-nitro-N-[2-(3-phenylpyrrolidine-1-carbonyl)phenyl]benzamide (PubChem CID 43903884) has the molecular formula C25H23N3O4 and a molecular weight of 429.48 g/mol. Its IUPAC name is 2-methyl-3-nitro-N-[2-(3-phenylpyrrolidine-1-carbonyl)phenyl]benzamide.

Molecular Properties

Compound Name2-methyl-3-nitro-N-[2-(3-phenylpyrrolidine-1-carbonyl)phenyl]benzamide
PubChem CID43903884
Molecular FormulaC25H23N3O4
Molecular Weight429.48 g/mol
Exact Mass429.17
IUPAC Name2-methyl-3-nitro-N-[2-(3-phenylpyrrolidine-1-carbonyl)phenyl]benzamide
SMILESCc1c(C(=O)Nc2ccccc2C(=O)N2CCC(c3ccccc3)C2)cccc1[N+](=O)[O-]
InChIInChI=1S/C25H23N3O4/c1-17-20(11-7-13-23(17)28(31)32)24(29)26-22-12-6-5-10-21(22)25(30)27-15-14-19(16-27)18-8-3-2-4-9-18/h2-13,19H,14-16H2,1H3,(H,26,29)
InChIKeyCQLVPEMQNOADOO-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

4-methyl-3-nitro-N-[2-(3-phenylpyrrolidine-1-carbonyl)phenyl]benzamide
CID 43903885
2-chloro-5-nitro-N-[2-(3-phenylpyrrolidine-1-carbonyl)phenyl]benzamide
CID 43903889
ethyl 4-[2-[(2-methyl-3-nitrobenzoyl)amino]benzoyl]piperazine-1-carboxylate
CID 17311396
N-[2-(3-phenylpyrrolidine-1-carbonyl)phenyl]-4-propan-2-ylbenzamide
CID 43903864
(3-hydroxypyrrolidin-1-yl)-(2-methyl-3-nitrophenyl)methanone
CID 62918267
[(3R)-3-aminopyrrolidin-1-yl]-(2-methyl-3-nitrophenyl)methanone
CID 81469493
2-methyl-3-nitro-N-[2-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 34567735
N-[2-(3-phenylpyrrolidine-1-carbonyl)phenyl]pentanamide
CID 43903944
2-methyl-3-nitro-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 26709787
N-(2-fluorophenyl)-2-methyl-3-nitrobenzamide
CID 710979
(3-aminopiperidin-1-yl)-(2-methyl-3-nitrophenyl)methanone;hydrochloride
CID 119377680
N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-2-methyl-3-nitrobenzamide
CID 55639880

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-nitro-N-[2-(3-phenylpyrrolidine-1-carbonyl)phenyl]benzamide?
The IUPAC name of 2-methyl-3-nitro-N-[2-(3-phenylpyrrolidine-1-carbonyl)phenyl]benzamide (CID 43903884) is 2-methyl-3-nitro-N-[2-(3-phenylpyrrolidine-1-carbonyl)phenyl]benzamide.
What is the SMILES notation for 2-methyl-3-nitro-N-[2-(3-phenylpyrrolidine-1-carbonyl)phenyl]benzamide?
The canonical SMILES for 2-methyl-3-nitro-N-[2-(3-phenylpyrrolidine-1-carbonyl)phenyl]benzamide is Cc1c(C(=O)Nc2ccccc2C(=O)N2CCC(c3ccccc3)C2)cccc1[N+](=O)[O-].
What is the InChIKey of 2-methyl-3-nitro-N-[2-(3-phenylpyrrolidine-1-carbonyl)phenyl]benzamide?
The InChIKey is CQLVPEMQNOADOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O4/c1-17-20(11-7-13-23(17)28(31)32)24(29)26-22-12-6-5-10-21(22)25(30)27-15-14-19(16-27)18-8-3-2-4-9-18/h2-13,19H,14-16H2,1H3,(H,26,29).
What are the key properties of 2-methyl-3-nitro-N-[2-(3-phenylpyrrolidine-1-carbonyl)phenyl]benzamide?
2-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 2-methyl-3-nitro-N-[2-(3-phenylpyrrolidine-1-carbonyl)phenyl]benzamide is sourced from PubChem (CID 43903884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).