4-methyl-N-(2-oxocyclopentyl)benzamide;4-nitro-N-(2-oxocyclopentyl)benzamide

C25H27N3O6 — CID 123420478

IUPAC4-methyl-N-(2-oxocyclopentyl)benzamide;4-nitro-N-(2-oxocyclopentyl)benzamide
SMILESCc1ccc(C(=O)NC2CCCC2=O)cc1.O=C(NC1CCCC1=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H15NO2.C12H12N2O4/c1-9-5-7-10(8-6-9)13(16)14-11-3-2-4-12(11)15;15-11-3-1-2-10(11)13-12(16)8-4-6-9(7-5-8)14(17)18/h5-8,11H,2-4H2,1H3,(H,14,16);4-7,10H,1-3H2,(H,13,16)
InChIKeyBPAVDJKBSKKYID-UHFFFAOYSA-N
MW465.51 g/mol
LogP3.29
Rot. Bonds5

About 4-methyl-N-(2-oxocyclopentyl)benzamide;4-nitro-N-(2-oxocyclopentyl)benzamide

4-methyl-N-(2-oxocyclopentyl)benzamide;4-nitro-N-(2-oxocyclopentyl)benzamide (PubChem CID 123420478) has the molecular formula C25H27N3O6 and a molecular weight of 465.51 g/mol. Its IUPAC name is 4-methyl-N-(2-oxocyclopentyl)benzamide;4-nitro-N-(2-oxocyclopentyl)benzamide.

Molecular Properties

Compound Name4-methyl-N-(2-oxocyclopentyl)benzamide;4-nitro-N-(2-oxocyclopentyl)benzamide
PubChem CID123420478
Molecular FormulaC25H27N3O6
Molecular Weight465.51 g/mol
Exact Mass465.19
IUPAC Name4-methyl-N-(2-oxocyclopentyl)benzamide;4-nitro-N-(2-oxocyclopentyl)benzamide
SMILESCc1ccc(C(=O)NC2CCCC2=O)cc1.O=C(NC1CCCC1=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H15NO2.C12H12N2O4/c1-9-5-7-10(8-6-9)13(16)14-11-3-2-4-12(11)15;15-11-3-1-2-10(11)13-12(16)8-4-6-9(7-5-8)14(17)18/h5-8,11H,2-4H2,1H3,(H,14,16);4-7,10H,1-3H2,(H,13,16)
InChIKeyBPAVDJKBSKKYID-UHFFFAOYSA-N
XLogP3.29
TPSA135.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.51
LogP ≤ 53.29
H-Bond Donors ≤ 52
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

2-(4-nitrophenyl)-N-[(1R)-2-oxocyclopentyl]acetamide
CID 58413628
4-methyl-N-[(2-oxocyclohexyl)carbamothioyl]benzamide
CID 11358251
N-(2,6-dioxopiperidin-3-yl)-4-nitrobenzamide
CID 10378768
N-cyclododecyl-4-nitrobenzamide
CID 19168070
2-(4-methylphenyl)-N-[(1R)-2-oxocyclopentyl]acetamide
CID 58413553
N-[(1S,2S)-2-hydroxycyclopentyl]-4-nitrobenzamide
CID 95562447
N-(2,3-dimethylcyclohexyl)-4-nitrobenzamide
CID 3684866
N-[(1R,2R)-2-(dimethylamino)cyclohexyl]-4-nitrobenzamide
CID 54037439
4-nitro-N-(6-oxopiperidin-3-yl)benzamide
CID 60617057
4-decoxy-N-[(1R)-2-oxocyclopentyl]benzamide
CID 58413561
N-cyclopent-2-en-1-yl-4-nitrobenzamide
CID 14688662
N-[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]-4-nitrobenzamide
CID 12074090

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-oxocyclopentyl)benzamide;4-nitro-N-(2-oxocyclopentyl)benzamide?
The IUPAC name of 4-methyl-N-(2-oxocyclopentyl)benzamide;4-nitro-N-(2-oxocyclopentyl)benzamide (CID 123420478) is 4-methyl-N-(2-oxocyclopentyl)benzamide;4-nitro-N-(2-oxocyclopentyl)benzamide.
What is the SMILES notation for 4-methyl-N-(2-oxocyclopentyl)benzamide;4-nitro-N-(2-oxocyclopentyl)benzamide?
The canonical SMILES for 4-methyl-N-(2-oxocyclopentyl)benzamide;4-nitro-N-(2-oxocyclopentyl)benzamide is Cc1ccc(C(=O)NC2CCCC2=O)cc1.O=C(NC1CCCC1=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 4-methyl-N-(2-oxocyclopentyl)benzamide;4-nitro-N-(2-oxocyclopentyl)benzamide?
The InChIKey is BPAVDJKBSKKYID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2.C12H12N2O4/c1-9-5-7-10(8-6-9)13(16)14-11-3-2-4-12(11)15;15-11-3-1-2-10(11)13-12(16)8-4-6-9(7-5-8)14(17)18/h5-8,11H,2-4H2,1H3,(H,14,16);4-7,10H,1-3H2,(H,13,16).
What are the key properties of 4-methyl-N-(2-oxocyclopentyl)benzamide;4-nitro-N-(2-oxocyclopentyl)benzamide?
4-methyl-N-(2-oxocyclopentyl)benzamide;4-nitro-N-(2-oxocyclopentyl)benzamide has a molecular weight of 465.51 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-oxocyclopentyl)benzamide;4-nitro-N-(2-oxocyclopentyl)benzamide is sourced from PubChem (CID 123420478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).