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

C20H20N4O6 — CID 3379821

IUPAC4-nitro-N-[2-[(4-nitrobenzoyl)amino]cyclohexyl]benzamide
SMILESO=C(NC1CCCCC1NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C20H20N4O6/c25-19(13-5-9-15(10-6-13)23(27)28)21-17-3-1-2-4-18(17)22-20(26)14-7-11-16(12-8-14)24(29)30/h5-12,17-18H,1-4H2,(H,21,25)(H,22,26)
InChIKeyIFJNBTSLUHNFGX-UHFFFAOYSA-N
MW412.40 g/mol
LogP2.97
Rot. Bonds6

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

4-nitro-N-[2-[(4-nitrobenzoyl)amino]cyclohexyl]benzamide (PubChem CID 3379821) has the molecular formula C20H20N4O6 and a molecular weight of 412.40 g/mol. Its IUPAC name is 4-nitro-N-[2-[(4-nitrobenzoyl)amino]cyclohexyl]benzamide.

Molecular Properties

Compound Name4-nitro-N-[2-[(4-nitrobenzoyl)amino]cyclohexyl]benzamide
PubChem CID3379821
Molecular FormulaC20H20N4O6
Molecular Weight412.40 g/mol
Exact Mass412.14
IUPAC Name4-nitro-N-[2-[(4-nitrobenzoyl)amino]cyclohexyl]benzamide
SMILESO=C(NC1CCCCC1NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C20H20N4O6/c25-19(13-5-9-15(10-6-13)23(27)28)21-17-3-1-2-4-18(17)22-20(26)14-7-11-16(12-8-14)24(29)30/h5-12,17-18H,1-4H2,(H,21,25)(H,22,26)
InChIKeyIFJNBTSLUHNFGX-UHFFFAOYSA-N
XLogP2.97
TPSA144.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.40
LogP ≤ 52.97
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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Frequently Asked Questions

What is the IUPAC name of 4-nitro-N-[2-[(4-nitrobenzoyl)amino]cyclohexyl]benzamide?
The IUPAC name of 4-nitro-N-[2-[(4-nitrobenzoyl)amino]cyclohexyl]benzamide (CID 3379821) is 4-nitro-N-[2-[(4-nitrobenzoyl)amino]cyclohexyl]benzamide.
What is the SMILES notation for 4-nitro-N-[2-[(4-nitrobenzoyl)amino]cyclohexyl]benzamide?
The canonical SMILES for 4-nitro-N-[2-[(4-nitrobenzoyl)amino]cyclohexyl]benzamide is O=C(NC1CCCCC1NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 4-nitro-N-[2-[(4-nitrobenzoyl)amino]cyclohexyl]benzamide?
The InChIKey is IFJNBTSLUHNFGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O6/c25-19(13-5-9-15(10-6-13)23(27)28)21-17-3-1-2-4-18(17)22-20(26)14-7-11-16(12-8-14)24(29)30/h5-12,17-18H,1-4H2,(H,21,25)(H,22,26).
What are the key properties of 4-nitro-N-[2-[(4-nitrobenzoyl)amino]cyclohexyl]benzamide?
4-nitro-N-[2-[(4-nitrobenzoyl)amino]cyclohexyl]benzamide has a molecular weight of 412.40 g/mol, XLogP of 2.97, 6 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]cyclohexyl]benzamide is sourced from PubChem (CID 3379821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).