4-nitro-N-[2-[(4-nitrobenzoyl)amino]ethyl]benzamide

C16H14N4O6 — CID 2134211

IUPAC4-nitro-N-[2-[(4-nitrobenzoyl)amino]ethyl]benzamide
SMILESO=C(NCCNC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H14N4O6/c21-15(11-1-5-13(6-2-11)19(23)24)17-9-10-18-16(22)12-3-7-14(8-4-12)20(25)26/h1-8H,9-10H2,(H,17,21)(H,18,22)
InChIKeyKGDGPIKXAQPEMP-UHFFFAOYSA-N
MW358.31 g/mol
LogP1.66
Rot. Bonds7

About 4-nitro-N-[2-[(4-nitrobenzoyl)amino]ethyl]benzamide

4-nitro-N-[2-[(4-nitrobenzoyl)amino]ethyl]benzamide (PubChem CID 2134211) has the molecular formula C16H14N4O6 and a molecular weight of 358.31 g/mol. Its IUPAC name is 4-nitro-N-[2-[(4-nitrobenzoyl)amino]ethyl]benzamide.

Molecular Properties

Compound Name4-nitro-N-[2-[(4-nitrobenzoyl)amino]ethyl]benzamide
PubChem CID2134211
Molecular FormulaC16H14N4O6
Molecular Weight358.31 g/mol
Exact Mass358.09
IUPAC Name4-nitro-N-[2-[(4-nitrobenzoyl)amino]ethyl]benzamide
SMILESO=C(NCCNC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H14N4O6/c21-15(11-1-5-13(6-2-11)19(23)24)17-9-10-18-16(22)12-3-7-14(8-4-12)20(25)26/h1-8H,9-10H2,(H,17,21)(H,18,22)
InChIKeyKGDGPIKXAQPEMP-UHFFFAOYSA-N
XLogP1.66
TPSA144.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.31
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-nitro-N-[2-[(4-nitrobenzoyl)amino]ethyl]benzamide?
The IUPAC name of 4-nitro-N-[2-[(4-nitrobenzoyl)amino]ethyl]benzamide (CID 2134211) is 4-nitro-N-[2-[(4-nitrobenzoyl)amino]ethyl]benzamide.
What is the SMILES notation for 4-nitro-N-[2-[(4-nitrobenzoyl)amino]ethyl]benzamide?
The canonical SMILES for 4-nitro-N-[2-[(4-nitrobenzoyl)amino]ethyl]benzamide is O=C(NCCNC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 4-nitro-N-[2-[(4-nitrobenzoyl)amino]ethyl]benzamide?
The InChIKey is KGDGPIKXAQPEMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O6/c21-15(11-1-5-13(6-2-11)19(23)24)17-9-10-18-16(22)12-3-7-14(8-4-12)20(25)26/h1-8H,9-10H2,(H,17,21)(H,18,22).
What are the key properties of 4-nitro-N-[2-[(4-nitrobenzoyl)amino]ethyl]benzamide?
4-nitro-N-[2-[(4-nitrobenzoyl)amino]ethyl]benzamide has a molecular weight of 358.31 g/mol, XLogP of 1.66, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-N-[2-[(4-nitrobenzoyl)amino]ethyl]benzamide is sourced from PubChem (CID 2134211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).