4-fluoro-N-(3-formylphenyl)-2-nitrobenzamide

C14H9FN2O4 — CID 106912712

IUPAC4-fluoro-N-(3-formylphenyl)-2-nitrobenzamide
SMILESO=Cc1cccc(NC(=O)c2ccc(F)cc2[N+](=O)[O-])c1
InChIInChI=1S/C14H9FN2O4/c15-10-4-5-12(13(7-10)17(20)21)14(19)16-11-3-1-2-9(6-11)8-18/h1-8H,(H,16,19)
InChIKeyDGDHNJUPGUOYAC-UHFFFAOYSA-N
MW288.23 g/mol
LogP2.80
Rot. Bonds4

About 4-fluoro-N-(3-formylphenyl)-2-nitrobenzamide

4-fluoro-N-(3-formylphenyl)-2-nitrobenzamide (PubChem CID 106912712) has the molecular formula C14H9FN2O4 and a molecular weight of 288.23 g/mol. Its IUPAC name is 4-fluoro-N-(3-formylphenyl)-2-nitrobenzamide.

Molecular Properties

Compound Name4-fluoro-N-(3-formylphenyl)-2-nitrobenzamide
PubChem CID106912712
Molecular FormulaC14H9FN2O4
Molecular Weight288.23 g/mol
Exact Mass288.05
IUPAC Name4-fluoro-N-(3-formylphenyl)-2-nitrobenzamide
SMILESO=Cc1cccc(NC(=O)c2ccc(F)cc2[N+](=O)[O-])c1
InChIInChI=1S/C14H9FN2O4/c15-10-4-5-12(13(7-10)17(20)21)14(19)16-11-3-1-2-9(6-11)8-18/h1-8H,(H,16,19)
InChIKeyDGDHNJUPGUOYAC-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-(4-formylphenyl)-2-nitrobenzamide
CID 106912364
N-(3-formylphenyl)-2-methyl-3-nitrobenzamide
CID 106912464
N-(3-formylphenyl)-4-nitro-2-(trifluoromethyl)benzamide
CID 89152402
4-fluoro-N-(6-fluoro-2-pyridinyl)-2-nitrobenzamide
CID 104820949
5-fluoro-N-(3-iodophenyl)-2-nitrobenzamide
CID 60875450
2,5-difluoro-N-(3-fluorophenyl)-4-nitrobenzamide
CID 115736115
2-nitro-N-[3-[(2-nitrobenzoyl)amino]phenyl]benzamide
CID 4524835
N-(4-formylphenyl)-2-nitrobenzamide
CID 25179247
N-(3-bromophenyl)-2,5-difluoro-3-nitrobenzamide
CID 107121691
4-fluoro-N-(2-fluoro-4-hydroxyphenyl)-2-nitrobenzamide
CID 75502193
N-(5-amino-2-fluorophenyl)-4-fluoro-2-nitrobenzamide
CID 115736636
N-(3-chloro-2-pyridinyl)-4-fluoro-2-nitrobenzamide
CID 103943386

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(3-formylphenyl)-2-nitrobenzamide?
The IUPAC name of 4-fluoro-N-(3-formylphenyl)-2-nitrobenzamide (CID 106912712) is 4-fluoro-N-(3-formylphenyl)-2-nitrobenzamide.
What is the SMILES notation for 4-fluoro-N-(3-formylphenyl)-2-nitrobenzamide?
The canonical SMILES for 4-fluoro-N-(3-formylphenyl)-2-nitrobenzamide is O=Cc1cccc(NC(=O)c2ccc(F)cc2[N+](=O)[O-])c1.
What is the InChIKey of 4-fluoro-N-(3-formylphenyl)-2-nitrobenzamide?
The InChIKey is DGDHNJUPGUOYAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN2O4/c15-10-4-5-12(13(7-10)17(20)21)14(19)16-11-3-1-2-9(6-11)8-18/h1-8H,(H,16,19).
What are the key properties of 4-fluoro-N-(3-formylphenyl)-2-nitrobenzamide?
4-fluoro-N-(3-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-(3-formylphenyl)-2-nitrobenzamide is sourced from PubChem (CID 106912712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).