N-formyl-4-nitrobenzamide

C8H6N2O4 — CID 12550339

IUPACN-formyl-4-nitrobenzamide
SMILESO=CNC(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C8H6N2O4/c11-5-9-8(12)6-1-3-7(4-2-6)10(13)14/h1-5H,(H,9,11,12)
InChIKeySJUQQZZIKPDJDP-UHFFFAOYSA-N
MW194.15 g/mol
LogP0.48
Rot. Bonds3

About N-formyl-4-nitrobenzamide

N-formyl-4-nitrobenzamide (PubChem CID 12550339) has the molecular formula C8H6N2O4 and a molecular weight of 194.15 g/mol. Its IUPAC name is N-formyl-4-nitrobenzamide.

Molecular Properties

Compound NameN-formyl-4-nitrobenzamide
PubChem CID12550339
Molecular FormulaC8H6N2O4
Molecular Weight194.15 g/mol
Exact Mass194.03
IUPAC NameN-formyl-4-nitrobenzamide
SMILESO=CNC(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C8H6N2O4/c11-5-9-8(12)6-1-3-7(4-2-6)10(13)14/h1-5H,(H,9,11,12)
InChIKeySJUQQZZIKPDJDP-UHFFFAOYSA-N
XLogP0.48
TPSA89.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.15
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-nitrobenzohydrazide;hydrochloride
CID 172718286
4-nitro-N-trimethylsilylbenzamide
CID 12726300
N-(2-formylphenyl)-4-nitrobenzamide
CID 142750157
N-(2-cyanoethyl)-4-nitrobenzamide
CID 517993
CID 23358530
CID 23358530
N-(3-chloropropyl)-4-nitrobenzamide
CID 3421653
N-cyclododecyl-4-nitrobenzamide
CID 19168070
4-nitro-N-(3-silylpropyl)benzamide
CID 123594916
3-methyl-2-[(4-nitrobenzoyl)amino]butanoic acid
CID 3588676
sodium 4-[(4-nitrobenzoyl)amino]butanoate
CID 133269640
4-nitro-N-[2-(propanoylamino)ethyl]benzamide
CID 4153316
methyl N-[(4-nitrobenzoyl)amino]carbamate
CID 3756134

Frequently Asked Questions

What is the IUPAC name of N-formyl-4-nitrobenzamide?
The IUPAC name of N-formyl-4-nitrobenzamide (CID 12550339) is N-formyl-4-nitrobenzamide.
What is the SMILES notation for N-formyl-4-nitrobenzamide?
The canonical SMILES for N-formyl-4-nitrobenzamide is O=CNC(=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-formyl-4-nitrobenzamide?
The InChIKey is SJUQQZZIKPDJDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O4/c11-5-9-8(12)6-1-3-7(4-2-6)10(13)14/h1-5H,(H,9,11,12).
What are the key properties of N-formyl-4-nitrobenzamide?
N-formyl-4-nitrobenzamide has a molecular weight of 194.15 g/mol, XLogP of 0.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-formyl-4-nitrobenzamide is sourced from PubChem (CID 12550339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).