N,1-bis(3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide

C17H14N4O6 — CID 3118870

IUPACN,1-bis(3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1cccc([N+](=O)[O-])c1)C1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1
InChIInChI=1S/C17H14N4O6/c22-16-7-11(10-19(16)13-4-2-6-15(9-13)21(26)27)17(23)18-12-3-1-5-14(8-12)20(24)25/h1-6,8-9,11H,7,10H2,(H,18,23)
InChIKeyNKTCUCVKMJMKSZ-UHFFFAOYSA-N
MW370.32 g/mol
LogP2.49
Rot. Bonds5

About N,1-bis(3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide

N,1-bis(3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 3118870) has the molecular formula C17H14N4O6 and a molecular weight of 370.32 g/mol. Its IUPAC name is N,1-bis(3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN,1-bis(3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID3118870
Molecular FormulaC17H14N4O6
Molecular Weight370.32 g/mol
Exact Mass370.09
IUPAC NameN,1-bis(3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1cccc([N+](=O)[O-])c1)C1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1
InChIInChI=1S/C17H14N4O6/c22-16-7-11(10-19(16)13-4-2-6-15(9-13)21(26)27)17(23)18-12-3-1-5-14(8-12)20(24)25/h1-6,8-9,11H,7,10H2,(H,18,23)
InChIKeyNKTCUCVKMJMKSZ-UHFFFAOYSA-N
XLogP2.49
TPSA135.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.32
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

(3S)-N-(3,4-dichlorophenyl)-1-(3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 1106036
(3R)-1-(4-bromophenyl)-N-(3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 1102934
1-(3-chloro-4-fluorophenyl)-N-(3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 17225383
(3R)-1-(3-nitrophenyl)-5-oxopyrrolidine-3-carboxylate
CID 6926305
(3R)-N-(4-nitrophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 7325425
N,1-bis(3-acetamidophenyl)-5-oxopyrrolidine-3-carboxamide
CID 113189064
(3S)-1-(4-nitrophenyl)-5-oxo-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 9056105
methyl 1-(3-nitrophenyl)-5-oxopyrrolidine-3-carboxylate;thionyl dichloride
CID 162016145
(3R)-N-(2-methyl-5-nitrophenyl)-1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 28892321
1-(3-bromophenyl)-N-(4-methyl-3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 46586995
(3S)-1-(3-acetamidophenyl)-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 92727129
(3S)-1-[4-[(3-nitrophenyl)sulfamoyl]phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 39323493

Frequently Asked Questions

What is the IUPAC name of N,1-bis(3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N,1-bis(3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide (CID 3118870) is N,1-bis(3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N,1-bis(3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N,1-bis(3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide is O=C(Nc1cccc([N+](=O)[O-])c1)C1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1.
What is the InChIKey of N,1-bis(3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is NKTCUCVKMJMKSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O6/c22-16-7-11(10-19(16)13-4-2-6-15(9-13)21(26)27)17(23)18-12-3-1-5-14(8-12)20(24)25/h1-6,8-9,11H,7,10H2,(H,18,23).
What are the key properties of N,1-bis(3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide?
N,1-bis(3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 370.32 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-bis(3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 3118870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).