3-fluoro-5-(4-formylphenoxy)-2-nitrobenzamide

C14H9FN2O5 — CID 87305236

IUPAC3-fluoro-5-(4-formylphenoxy)-2-nitrobenzamide
SMILESNC(=O)c1cc(Oc2ccc(C=O)cc2)cc(F)c1[N+](=O)[O-]
InChIInChI=1S/C14H9FN2O5/c15-12-6-10(5-11(14(16)19)13(12)17(20)21)22-9-3-1-8(7-18)2-4-9/h1-7H,(H2,16,19)
InChIKeyYDHAJPQFIZNFQO-UHFFFAOYSA-N
MW304.23 g/mol
LogP2.44
Rot. Bonds5

About 3-fluoro-5-(4-formylphenoxy)-2-nitrobenzamide

3-fluoro-5-(4-formylphenoxy)-2-nitrobenzamide (PubChem CID 87305236) has the molecular formula C14H9FN2O5 and a molecular weight of 304.23 g/mol. Its IUPAC name is 3-fluoro-5-(4-formylphenoxy)-2-nitrobenzamide.

Molecular Properties

Compound Name3-fluoro-5-(4-formylphenoxy)-2-nitrobenzamide
PubChem CID87305236
Molecular FormulaC14H9FN2O5
Molecular Weight304.23 g/mol
Exact Mass304.05
IUPAC Name3-fluoro-5-(4-formylphenoxy)-2-nitrobenzamide
SMILESNC(=O)c1cc(Oc2ccc(C=O)cc2)cc(F)c1[N+](=O)[O-]
InChIInChI=1S/C14H9FN2O5/c15-12-6-10(5-11(14(16)19)13(12)17(20)21)22-9-3-1-8(7-18)2-4-9/h1-7H,(H2,16,19)
InChIKeyYDHAJPQFIZNFQO-UHFFFAOYSA-N
XLogP2.44
TPSA112.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.23
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

3,5-difluoro-4-(4-formylphenoxy)benzamide
CID 59730109
5-formyl-3-methoxy-2-nitrobenzamide
CID 171023186
3-fluoro-4-(4-formylphenoxy)benzamide
CID 57352536
4-(4-fluorophenoxy)benzaldehyde
CID 3856802
5-[2-fluoro-4-(trifluoromethyl)phenoxy]-2-nitrobenzamide
CID 57174835
4-(3-chloro-4-fluorophenoxy)benzaldehyde
CID 63877798
4-(2,4,6-trifluorophenoxy)benzaldehyde
CID 178142312
6-chloro-4-(4-chlorophenoxy)-5-nitropyridine-3-carboxamide
CID 71323132
5-(3-fluoro-4-nitrophenoxy)pyridine-3-carbaldehyde
CID 113469459
4-fluoro-3-methyl-2-nitrobenzamide
CID 131120224
4-[2,6-dinitro-4-(trifluoromethyl)phenoxy]benzaldehyde
CID 2779971
3,6-difluoro-2-nitrobenzamide
CID 131169296

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-(4-formylphenoxy)-2-nitrobenzamide?
The IUPAC name of 3-fluoro-5-(4-formylphenoxy)-2-nitrobenzamide (CID 87305236) is 3-fluoro-5-(4-formylphenoxy)-2-nitrobenzamide.
What is the SMILES notation for 3-fluoro-5-(4-formylphenoxy)-2-nitrobenzamide?
The canonical SMILES for 3-fluoro-5-(4-formylphenoxy)-2-nitrobenzamide is NC(=O)c1cc(Oc2ccc(C=O)cc2)cc(F)c1[N+](=O)[O-].
What is the InChIKey of 3-fluoro-5-(4-formylphenoxy)-2-nitrobenzamide?
The InChIKey is YDHAJPQFIZNFQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN2O5/c15-12-6-10(5-11(14(16)19)13(12)17(20)21)22-9-3-1-8(7-18)2-4-9/h1-7H,(H2,16,19).
What are the key properties of 3-fluoro-5-(4-formylphenoxy)-2-nitrobenzamide?
3-fluoro-5-(4-formylphenoxy)-2-nitrobenzamide has a molecular weight of 304.23 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-(4-formylphenoxy)-2-nitrobenzamide is sourced from PubChem (CID 87305236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).