2-N-benzyl-1-N-(2-nitrophenyl)pyrrolidine-1,2-dicarboxamide

C19H20N4O4 — CID 3230334

IUPAC2-N-benzyl-1-N-(2-nitrophenyl)pyrrolidine-1,2-dicarboxamide
SMILESO=C(NCc1ccccc1)C1CCCN1C(=O)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C19H20N4O4/c24-18(20-13-14-7-2-1-3-8-14)17-11-6-12-22(17)19(25)21-15-9-4-5-10-16(15)23(26)27/h1-5,7-10,17H,6,11-13H2,(H,20,24)(H,21,25)
InChIKeyLVGLAMQBIXGDFU-UHFFFAOYSA-N
MW368.39 g/mol
LogP2.91
Rot. Bonds5

About 2-N-benzyl-1-N-(2-nitrophenyl)pyrrolidine-1,2-dicarboxamide

2-N-benzyl-1-N-(2-nitrophenyl)pyrrolidine-1,2-dicarboxamide (PubChem CID 3230334) has the molecular formula C19H20N4O4 and a molecular weight of 368.39 g/mol. Its IUPAC name is 2-N-benzyl-1-N-(2-nitrophenyl)pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-benzyl-1-N-(2-nitrophenyl)pyrrolidine-1,2-dicarboxamide
PubChem CID3230334
Molecular FormulaC19H20N4O4
Molecular Weight368.39 g/mol
Exact Mass368.15
IUPAC Name2-N-benzyl-1-N-(2-nitrophenyl)pyrrolidine-1,2-dicarboxamide
SMILESO=C(NCc1ccccc1)C1CCCN1C(=O)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C19H20N4O4/c24-18(20-13-14-7-2-1-3-8-14)17-11-6-12-22(17)19(25)21-15-9-4-5-10-16(15)23(26)27/h1-5,7-10,17H,6,11-13H2,(H,20,24)(H,21,25)
InChIKeyLVGLAMQBIXGDFU-UHFFFAOYSA-N
XLogP2.91
TPSA104.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 52.91
H-Bond Donors ≤ 52
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

Sdz nkt 343
CID 9851211
N2-[1-[methyl-(phenylmethyl)amino]-3-(2-naphthalenyl)-1-oxopropan-2-yl]-N1-(2-nitrophenyl)pyrrolidine-1,2-dicarboxamide
CID 44208964
Pyrrolidine-1,2-dicarboxylic acid 2-(4-methyl-benzylamide) 1-p-tolylamide
CID 3221243
2-N-(3-ethoxypropyl)-1-N-(2-nitrophenyl)pyrrolidine-1,2-dicarboxamide
CID 3230336
2-[4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-nitrophenyl)acetamide
CID 18074157
2-[3-(4-Fluoro-phenyl)-1-(2-nitro-benzyl)-ureido]-N-hydroxy-propionamide
CID 44312195
Pyrrolidine-1,2-dicarboxylic acid 2-[(2-cyclohex-1-enyl-ethyl)-amide] 1-p-tolylamide
CID 644827
2-N-(3-acetamidophenyl)-1-N-(3-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 648549
2-N-(3-acetamidophenyl)-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 650709
N-benzyl-2-[3-[2-(benzylamino)-2-oxoethyl]-2-oxobenzimidazol-1-yl]acetamide
CID 1109829
3-[(4-Nitrophenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2622540
Pyrrolidine-1,2-dicarboxylic acid 2-(4-fluoro-benzylamide) 1-phenylamide
CID 3219764

Frequently Asked Questions

What is the IUPAC name of 2-N-benzyl-1-N-(2-nitrophenyl)pyrrolidine-1,2-dicarboxamide?
The IUPAC name of 2-N-benzyl-1-N-(2-nitrophenyl)pyrrolidine-1,2-dicarboxamide (CID 3230334) is 2-N-benzyl-1-N-(2-nitrophenyl)pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for 2-N-benzyl-1-N-(2-nitrophenyl)pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for 2-N-benzyl-1-N-(2-nitrophenyl)pyrrolidine-1,2-dicarboxamide is O=C(NCc1ccccc1)C1CCCN1C(=O)Nc1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-N-benzyl-1-N-(2-nitrophenyl)pyrrolidine-1,2-dicarboxamide?
The InChIKey is LVGLAMQBIXGDFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4/c24-18(20-13-14-7-2-1-3-8-14)17-11-6-12-22(17)19(25)21-15-9-4-5-10-16(15)23(26)27/h1-5,7-10,17H,6,11-13H2,(H,20,24)(H,21,25).
What are the key properties of 2-N-benzyl-1-N-(2-nitrophenyl)pyrrolidine-1,2-dicarboxamide?
2-N-benzyl-1-N-(2-nitrophenyl)pyrrolidine-1,2-dicarboxamide has a molecular weight of 368.39 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-benzyl-1-N-(2-nitrophenyl)pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 3230334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).