5-nitro-N-(4-nitrophenyl)-2-propan-2-yloxybenzamide

C16H15N3O6 — CID 139678197

IUPAC5-nitro-N-(4-nitrophenyl)-2-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H15N3O6/c1-10(2)25-15-8-7-13(19(23)24)9-14(15)16(20)17-11-3-5-12(6-4-11)18(21)22/h3-10H,1-2H3,(H,17,20)
InChIKeyOCJLIRURGRQURI-UHFFFAOYSA-N
MW345.31 g/mol
LogP3.54
Rot. Bonds6

About 5-nitro-N-(4-nitrophenyl)-2-propan-2-yloxybenzamide

5-nitro-N-(4-nitrophenyl)-2-propan-2-yloxybenzamide (PubChem CID 139678197) has the molecular formula C16H15N3O6 and a molecular weight of 345.31 g/mol. Its IUPAC name is 5-nitro-N-(4-nitrophenyl)-2-propan-2-yloxybenzamide.

Molecular Properties

Compound Name5-nitro-N-(4-nitrophenyl)-2-propan-2-yloxybenzamide
PubChem CID139678197
Molecular FormulaC16H15N3O6
Molecular Weight345.31 g/mol
Exact Mass345.10
IUPAC Name5-nitro-N-(4-nitrophenyl)-2-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H15N3O6/c1-10(2)25-15-8-7-13(19(23)24)9-14(15)16(20)17-11-3-5-12(6-4-11)18(21)22/h3-10H,1-2H3,(H,17,20)
InChIKeyOCJLIRURGRQURI-UHFFFAOYSA-N
XLogP3.54
TPSA124.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.31
LogP ≤ 53.54
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'}

Analyze 5-nitro-N-(4-nitrophenyl)-2-propan-2-yloxybenzamide 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

N-(4-methoxyphenyl)-5-nitro-2-propan-2-yloxybenzamide
CID 139678187
N-(4-chlorophenyl)-2-methoxy-5-nitrobenzamide
CID 9043665
2-(difluoromethoxy)-N-(3-fluoro-4-methylphenyl)-5-nitrobenzamide
CID 112806014
2-methoxy-N-[4-(methylcarbamoyl)phenyl]-5-nitrobenzamide
CID 9158588
N-(4-nitro-2-propan-2-yloxyphenyl)acetamide
CID 86012496
N-[4-(diethylamino)phenyl]-2-methoxy-5-nitrobenzamide
CID 46410238
2-ethoxy-N-(4-methoxyphenyl)-5-nitrobenzamide
CID 141452154
N-(3-ethenyl-4-propan-2-yloxyphenyl)-4-nitrobenzamide
CID 59273358
2-hydroxy-4-nitro-N-(4-nitrophenyl)benzamide
CID 18931505
N-(4-fluoro-3-nitrophenyl)-2-methoxy-5-nitrobenzamide
CID 60606316
N-[4-(diethylsulfamoyl)phenyl]-2-methoxy-5-nitrobenzamide
CID 9203751
2-propan-2-yloxy-N-[4-[(2-propan-2-yloxybenzoyl)amino]phenyl]benzamide
CID 17046033

Frequently Asked Questions

What is the IUPAC name of 5-nitro-N-(4-nitrophenyl)-2-propan-2-yloxybenzamide?
The IUPAC name of 5-nitro-N-(4-nitrophenyl)-2-propan-2-yloxybenzamide (CID 139678197) is 5-nitro-N-(4-nitrophenyl)-2-propan-2-yloxybenzamide.
What is the SMILES notation for 5-nitro-N-(4-nitrophenyl)-2-propan-2-yloxybenzamide?
The canonical SMILES for 5-nitro-N-(4-nitrophenyl)-2-propan-2-yloxybenzamide is CC(C)Oc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 5-nitro-N-(4-nitrophenyl)-2-propan-2-yloxybenzamide?
The InChIKey is OCJLIRURGRQURI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O6/c1-10(2)25-15-8-7-13(19(23)24)9-14(15)16(20)17-11-3-5-12(6-4-11)18(21)22/h3-10H,1-2H3,(H,17,20).
What are the key properties of 5-nitro-N-(4-nitrophenyl)-2-propan-2-yloxybenzamide?
5-nitro-N-(4-nitrophenyl)-2-propan-2-yloxybenzamide has a molecular weight of 345.31 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-N-(4-nitrophenyl)-2-propan-2-yloxybenzamide is sourced from PubChem (CID 139678197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).