N,N'-bis(2-nitrophenyl)propanediamide

C15H12N4O6 — CID 3819304

IUPACN,N'-bis(2-nitrophenyl)propanediamide
SMILESO=C(CC(=O)Nc1ccccc1[N+](=O)[O-])Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C15H12N4O6/c20-14(16-10-5-1-3-7-12(10)18(22)23)9-15(21)17-11-6-2-4-8-13(11)19(24)25/h1-8H,9H2,(H,16,20)(H,17,21)
InChIKeyAESMHZVRTXLXHT-UHFFFAOYSA-N
MW344.28 g/mol
LogP2.47
Rot. Bonds6

About N,N'-bis(2-nitrophenyl)propanediamide

N,N'-bis(2-nitrophenyl)propanediamide (PubChem CID 3819304) has the molecular formula C15H12N4O6 and a molecular weight of 344.28 g/mol. Its IUPAC name is N,N'-bis(2-nitrophenyl)propanediamide.

Molecular Properties

Compound NameN,N'-bis(2-nitrophenyl)propanediamide
PubChem CID3819304
Molecular FormulaC15H12N4O6
Molecular Weight344.28 g/mol
Exact Mass344.08
IUPAC NameN,N'-bis(2-nitrophenyl)propanediamide
SMILESO=C(CC(=O)Nc1ccccc1[N+](=O)[O-])Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C15H12N4O6/c20-14(16-10-5-1-3-7-12(10)18(22)23)9-15(21)17-11-6-2-4-8-13(11)19(24)25/h1-8H,9H2,(H,16,20)(H,17,21)
InChIKeyAESMHZVRTXLXHT-UHFFFAOYSA-N
XLogP2.47
TPSA144.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.28
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N,N'-bis(2-nitrophenyl)propanediamide 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

3-chloro-N-(2-nitrophenyl)propanamide
CID 4318991
2-cyano-N-(2-nitrophenyl)acetamide
CID 2792625
2-bromoacetyl bromide;2-bromo-N-(2-nitrophenyl)acetamide
CID 158137216
N-(2-nitrophenyl)-2-(4-nitrophenyl)acetamide
CID 3300746
5-chloro-N-(2-nitrophenyl)pentanamide
CID 43699352
2-(4-aminophenyl)-N-(2-nitrophenyl)acetamide
CID 43708294
N-(2-nitrophenyl)-2-pyrrolidin-1-ium-1-ylacetamide
CID 7479162
N-benzyl-N'-(2-nitrophenyl)butanediamide
CID 4619061
N-[3-(2-nitroanilino)-3-oxopropyl]benzamide
CID 62707198
3-[2-(2-nitroanilino)-2-oxoethyl]sulfanylpropanoic acid
CID 43238017
2-(cyclopentylamino)-N-(2-nitrophenyl)acetamide
CID 54917838
2-(2-methoxyphenyl)-N-(2-nitrophenyl)acetamide
CID 3253389

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(2-nitrophenyl)propanediamide?
The IUPAC name of N,N'-bis(2-nitrophenyl)propanediamide (CID 3819304) is N,N'-bis(2-nitrophenyl)propanediamide.
What is the SMILES notation for N,N'-bis(2-nitrophenyl)propanediamide?
The canonical SMILES for N,N'-bis(2-nitrophenyl)propanediamide is O=C(CC(=O)Nc1ccccc1[N+](=O)[O-])Nc1ccccc1[N+](=O)[O-].
What is the InChIKey of N,N'-bis(2-nitrophenyl)propanediamide?
The InChIKey is AESMHZVRTXLXHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O6/c20-14(16-10-5-1-3-7-12(10)18(22)23)9-15(21)17-11-6-2-4-8-13(11)19(24)25/h1-8H,9H2,(H,16,20)(H,17,21).
What are the key properties of N,N'-bis(2-nitrophenyl)propanediamide?
N,N'-bis(2-nitrophenyl)propanediamide has a molecular weight of 344.28 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(2-nitrophenyl)propanediamide is sourced from PubChem (CID 3819304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).