N-(3-nitrophenyl)-2,4-dioxo-4-[(1R)-2-oxocyclopentyl]butanamide

C15H14N2O6 — CID 124545321

IUPACN-(3-nitrophenyl)-2,4-dioxo-4-[(1R)-2-oxocyclopentyl]butanamide
SMILESO=C(CC(=O)[C@@H]1CCCC1=O)C(=O)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H14N2O6/c18-12-6-2-5-11(12)13(19)8-14(20)15(21)16-9-3-1-4-10(7-9)17(22)23/h1,3-4,7,11H,2,5-6,8H2,(H,16,21)/t11-/m1/s1
InChIKeyWTYSXZBNUUPPEU-LLVKDONJSA-N
MW318.28 g/mol
LogP1.43
Rot. Bonds6

About N-(3-nitrophenyl)-2,4-dioxo-4-[(1R)-2-oxocyclopentyl]butanamide

N-(3-nitrophenyl)-2,4-dioxo-4-[(1R)-2-oxocyclopentyl]butanamide (PubChem CID 124545321) has the molecular formula C15H14N2O6 and a molecular weight of 318.28 g/mol. Its IUPAC name is N-(3-nitrophenyl)-2,4-dioxo-4-[(1R)-2-oxocyclopentyl]butanamide.

Molecular Properties

Compound NameN-(3-nitrophenyl)-2,4-dioxo-4-[(1R)-2-oxocyclopentyl]butanamide
PubChem CID124545321
Molecular FormulaC15H14N2O6
Molecular Weight318.28 g/mol
Exact Mass318.09
IUPAC NameN-(3-nitrophenyl)-2,4-dioxo-4-[(1R)-2-oxocyclopentyl]butanamide
SMILESO=C(CC(=O)[C@@H]1CCCC1=O)C(=O)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H14N2O6/c18-12-6-2-5-11(12)13(19)8-14(20)15(21)16-9-3-1-4-10(7-9)17(22)23/h1,3-4,7,11H,2,5-6,8H2,(H,16,21)/t11-/m1/s1
InChIKeyWTYSXZBNUUPPEU-LLVKDONJSA-N
XLogP1.43
TPSA123.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.28
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(3-nitrophenyl)-2,4-dioxo-4-[(1R)-2-oxocyclopentyl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cyclohexyl-N-(3-nitrophenyl)acetamide
CID 1121006
N'-naphthalen-1-yl-N-(3-nitrophenyl)oxamide
CID 108513330
1-(cyclohexylmethyl)-3-(3-nitrophenyl)urea
CID 31772081
N'-(3-fluorophenyl)-N-(3-nitrophenyl)oxamide
CID 108513374
2-iodo-N-(3-nitrophenyl)acetamide
CID 12611682
N-[1-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]ethenyl]-3-nitroaniline
CID 165364389
2-(3-hydroxypropyl)-N-(3-nitrophenyl)pyrrolidine-1-carboxamide
CID 62468286
N'-(3,5-dimethylphenyl)-N-(3-nitrophenyl)oxamide
CID 45001006
ethane;N-(3-nitrophenyl)acetamide
CID 90876834
2-[4-[2-(3-nitroanilino)-2-oxoethyl]piperazin-1-yl]-N-(3-nitrophenyl)acetamide;hydrochloride
CID 175654144
N-(2-chloroethyl)-N'-(3-nitrophenyl)oxamide
CID 108513255
N-(5-hydroxypentyl)-N'-(3-nitrophenyl)oxamide
CID 108513314

Frequently Asked Questions

What is the IUPAC name of N-(3-nitrophenyl)-2,4-dioxo-4-[(1R)-2-oxocyclopentyl]butanamide?
The IUPAC name of N-(3-nitrophenyl)-2,4-dioxo-4-[(1R)-2-oxocyclopentyl]butanamide (CID 124545321) is N-(3-nitrophenyl)-2,4-dioxo-4-[(1R)-2-oxocyclopentyl]butanamide.
What is the SMILES notation for N-(3-nitrophenyl)-2,4-dioxo-4-[(1R)-2-oxocyclopentyl]butanamide?
The canonical SMILES for N-(3-nitrophenyl)-2,4-dioxo-4-[(1R)-2-oxocyclopentyl]butanamide is O=C(CC(=O)[C@@H]1CCCC1=O)C(=O)Nc1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-(3-nitrophenyl)-2,4-dioxo-4-[(1R)-2-oxocyclopentyl]butanamide?
The InChIKey is WTYSXZBNUUPPEU-LLVKDONJSA-N. The full InChI is InChI=1S/C15H14N2O6/c18-12-6-2-5-11(12)13(19)8-14(20)15(21)16-9-3-1-4-10(7-9)17(22)23/h1,3-4,7,11H,2,5-6,8H2,(H,16,21)/t11-/m1/s1.
What are the key properties of N-(3-nitrophenyl)-2,4-dioxo-4-[(1R)-2-oxocyclopentyl]butanamide?
N-(3-nitrophenyl)-2,4-dioxo-4-[(1R)-2-oxocyclopentyl]butanamide has a molecular weight of 318.28 g/mol, XLogP of 1.43, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-nitrophenyl)-2,4-dioxo-4-[(1R)-2-oxocyclopentyl]butanamide is sourced from PubChem (CID 124545321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).