4-hydroxy-N-[2-[(4-hydroxy-3-nitrobenzoyl)amino]ethyl]-3-nitrobenzamide

C16H14N4O8 — CID 59350275

IUPAC4-hydroxy-N-[2-[(4-hydroxy-3-nitrobenzoyl)amino]ethyl]-3-nitrobenzamide
SMILESO=C(NCCNC(=O)c1ccc(O)c([N+](=O)[O-])c1)c1ccc(O)c([N+](=O)[O-])c1
InChIInChI=1S/C16H14N4O8/c21-13-3-1-9(7-11(13)19(25)26)15(23)17-5-6-18-16(24)10-2-4-14(22)12(8-10)20(27)28/h1-4,7-8,21-22H,5-6H2,(H,17,23)(H,18,24)
InChIKeyLEELFYRDRRRTMY-UHFFFAOYSA-N
MW390.31 g/mol
LogP1.07
Rot. Bonds7

About 4-hydroxy-N-[2-[(4-hydroxy-3-nitrobenzoyl)amino]ethyl]-3-nitrobenzamide

4-hydroxy-N-[2-[(4-hydroxy-3-nitrobenzoyl)amino]ethyl]-3-nitrobenzamide (PubChem CID 59350275) has the molecular formula C16H14N4O8 and a molecular weight of 390.31 g/mol. Its IUPAC name is 4-hydroxy-N-[2-[(4-hydroxy-3-nitrobenzoyl)amino]ethyl]-3-nitrobenzamide.

Molecular Properties

Compound Name4-hydroxy-N-[2-[(4-hydroxy-3-nitrobenzoyl)amino]ethyl]-3-nitrobenzamide
PubChem CID59350275
Molecular FormulaC16H14N4O8
Molecular Weight390.31 g/mol
Exact Mass390.08
IUPAC Name4-hydroxy-N-[2-[(4-hydroxy-3-nitrobenzoyl)amino]ethyl]-3-nitrobenzamide
SMILESO=C(NCCNC(=O)c1ccc(O)c([N+](=O)[O-])c1)c1ccc(O)c([N+](=O)[O-])c1
InChIInChI=1S/C16H14N4O8/c21-13-3-1-9(7-11(13)19(25)26)15(23)17-5-6-18-16(24)10-2-4-14(22)12(8-10)20(27)28/h1-4,7-8,21-22H,5-6H2,(H,17,23)(H,18,24)
InChIKeyLEELFYRDRRRTMY-UHFFFAOYSA-N
XLogP1.07
TPSA184.94 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.31
LogP ≤ 51.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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-hydroxy-N-[2-[(4-hydroxy-3-nitrobenzoyl)amino]ethyl]-3-nitrobenzamide?
The IUPAC name of 4-hydroxy-N-[2-[(4-hydroxy-3-nitrobenzoyl)amino]ethyl]-3-nitrobenzamide (CID 59350275) is 4-hydroxy-N-[2-[(4-hydroxy-3-nitrobenzoyl)amino]ethyl]-3-nitrobenzamide.
What is the SMILES notation for 4-hydroxy-N-[2-[(4-hydroxy-3-nitrobenzoyl)amino]ethyl]-3-nitrobenzamide?
The canonical SMILES for 4-hydroxy-N-[2-[(4-hydroxy-3-nitrobenzoyl)amino]ethyl]-3-nitrobenzamide is O=C(NCCNC(=O)c1ccc(O)c([N+](=O)[O-])c1)c1ccc(O)c([N+](=O)[O-])c1.
What is the InChIKey of 4-hydroxy-N-[2-[(4-hydroxy-3-nitrobenzoyl)amino]ethyl]-3-nitrobenzamide?
The InChIKey is LEELFYRDRRRTMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O8/c21-13-3-1-9(7-11(13)19(25)26)15(23)17-5-6-18-16(24)10-2-4-14(22)12(8-10)20(27)28/h1-4,7-8,21-22H,5-6H2,(H,17,23)(H,18,24).
What are the key properties of 4-hydroxy-N-[2-[(4-hydroxy-3-nitrobenzoyl)amino]ethyl]-3-nitrobenzamide?
4-hydroxy-N-[2-[(4-hydroxy-3-nitrobenzoyl)amino]ethyl]-3-nitrobenzamide has a molecular weight of 390.31 g/mol, XLogP of 1.07, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[2-[(4-hydroxy-3-nitrobenzoyl)amino]ethyl]-3-nitrobenzamide is sourced from PubChem (CID 59350275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).