4-fluoro-N-(4-formylphenyl)-2-nitrobenzamide

C14H9FN2O4 — CID 106912364

IUPAC4-fluoro-N-(4-formylphenyl)-2-nitrobenzamide
SMILESO=Cc1ccc(NC(=O)c2ccc(F)cc2[N+](=O)[O-])cc1
InChIInChI=1S/C14H9FN2O4/c15-10-3-6-12(13(7-10)17(20)21)14(19)16-11-4-1-9(8-18)2-5-11/h1-8H,(H,16,19)
InChIKeyOGZWUQUVUHZTOL-UHFFFAOYSA-N
MW288.23 g/mol
LogP2.80
Rot. Bonds4

About 4-fluoro-N-(4-formylphenyl)-2-nitrobenzamide

4-fluoro-N-(4-formylphenyl)-2-nitrobenzamide (PubChem CID 106912364) has the molecular formula C14H9FN2O4 and a molecular weight of 288.23 g/mol. Its IUPAC name is 4-fluoro-N-(4-formylphenyl)-2-nitrobenzamide.

Molecular Properties

Compound Name4-fluoro-N-(4-formylphenyl)-2-nitrobenzamide
PubChem CID106912364
Molecular FormulaC14H9FN2O4
Molecular Weight288.23 g/mol
Exact Mass288.05
IUPAC Name4-fluoro-N-(4-formylphenyl)-2-nitrobenzamide
SMILESO=Cc1ccc(NC(=O)c2ccc(F)cc2[N+](=O)[O-])cc1
InChIInChI=1S/C14H9FN2O4/c15-10-3-6-12(13(7-10)17(20)21)14(19)16-11-4-1-9(8-18)2-5-11/h1-8H,(H,16,19)
InChIKeyOGZWUQUVUHZTOL-UHFFFAOYSA-N
XLogP2.80
TPSA89.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.23
LogP ≤ 52.80
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-fluoro-N-(3-formylphenyl)-2-nitrobenzamide
CID 106912712
N-(4-formylphenyl)-2-nitrobenzamide
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CID 106912100
4-fluoro-N-(6-fluoro-2-pyridinyl)-2-nitrobenzamide
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2,5-difluoro-N-(4-fluorophenyl)-4-nitrobenzamide
CID 115736092
N-(4-ethylphenyl)-5-fluoro-2-nitrobenzamide
CID 60875833
4-fluoro-N-(2-fluoro-4-hydroxyphenyl)-2-nitrobenzamide
CID 75502193
2-bromo-4-fluoro-N-(4-nitrophenyl)benzamide
CID 18197888
N-(4-fluorophenyl)-5-(methylamino)-2-nitrobenzamide
CID 62167428
N-(5-amino-2-fluorophenyl)-4-fluoro-2-nitrobenzamide
CID 115736636
2-amino-5-fluoro-N-(4-nitrophenyl)benzamide
CID 43245709
N-cyclopropyl-4-fluoro-2-nitrobenzamide
CID 112698911

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(4-formylphenyl)-2-nitrobenzamide?
The IUPAC name of 4-fluoro-N-(4-formylphenyl)-2-nitrobenzamide (CID 106912364) is 4-fluoro-N-(4-formylphenyl)-2-nitrobenzamide.
What is the SMILES notation for 4-fluoro-N-(4-formylphenyl)-2-nitrobenzamide?
The canonical SMILES for 4-fluoro-N-(4-formylphenyl)-2-nitrobenzamide is O=Cc1ccc(NC(=O)c2ccc(F)cc2[N+](=O)[O-])cc1.
What is the InChIKey of 4-fluoro-N-(4-formylphenyl)-2-nitrobenzamide?
The InChIKey is OGZWUQUVUHZTOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN2O4/c15-10-3-6-12(13(7-10)17(20)21)14(19)16-11-4-1-9(8-18)2-5-11/h1-8H,(H,16,19).
What are the key properties of 4-fluoro-N-(4-formylphenyl)-2-nitrobenzamide?
4-fluoro-N-(4-formylphenyl)-2-nitrobenzamide has a molecular weight of 288.23 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(4-formylphenyl)-2-nitrobenzamide is sourced from PubChem (CID 106912364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).