4-fluoro-N-(4-nitro-3-pyridin-3-yloxyphenyl)benzamide

C18H12FN3O4 — CID 69092508

IUPAC4-fluoro-N-(4-nitro-3-pyridin-3-yloxyphenyl)benzamide
SMILESO=C(Nc1ccc([N+](=O)[O-])c(Oc2cccnc2)c1)c1ccc(F)cc1
InChIInChI=1S/C18H12FN3O4/c19-13-5-3-12(4-6-13)18(23)21-14-7-8-16(22(24)25)17(10-14)26-15-2-1-9-20-11-15/h1-11H,(H,21,23)
InChIKeyOMMWDTMGTWOZQT-UHFFFAOYSA-N
MW353.31 g/mol
LogP4.17
Rot. Bonds5

About 4-fluoro-N-(4-nitro-3-pyridin-3-yloxyphenyl)benzamide

4-fluoro-N-(4-nitro-3-pyridin-3-yloxyphenyl)benzamide (PubChem CID 69092508) has the molecular formula C18H12FN3O4 and a molecular weight of 353.31 g/mol. Its IUPAC name is 4-fluoro-N-(4-nitro-3-pyridin-3-yloxyphenyl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-(4-nitro-3-pyridin-3-yloxyphenyl)benzamide
PubChem CID69092508
Molecular FormulaC18H12FN3O4
Molecular Weight353.31 g/mol
Exact Mass353.08
IUPAC Name4-fluoro-N-(4-nitro-3-pyridin-3-yloxyphenyl)benzamide
SMILESO=C(Nc1ccc([N+](=O)[O-])c(Oc2cccnc2)c1)c1ccc(F)cc1
InChIInChI=1S/C18H12FN3O4/c19-13-5-3-12(4-6-13)18(23)21-14-7-8-16(22(24)25)17(10-14)26-15-2-1-9-20-11-15/h1-11H,(H,21,23)
InChIKeyOMMWDTMGTWOZQT-UHFFFAOYSA-N
XLogP4.17
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.31
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-fluoro-N-(4-nitro-3-pyridin-3-yloxyphenyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-chloro-4-(4-fluorophenoxy)phenyl]pyridine-3-carboxamide
CID 154695915
4-fluoro-N-(3-pyridin-2-yl-5-pyridin-3-yloxyphenyl)benzamide
CID 10172758
4-fluoro-3-nitro-N-pyridin-3-ylbenzamide
CID 43215734
N-[4-(2-nitrophenoxy)phenyl]benzamide
CID 9110945
N-(4-fluorophenyl)pyridine-3-carboxamide;hydrochloride
CID 110756411
3-amino-N-(4-fluorophenyl)-4-nitrobenzamide
CID 62681564
5-fluoro-N-(3-methyl-4-pyridin-3-yloxyphenyl)-1H-indole-2-carboxamide
CID 60581236
4-[(4-methyl-5-nitro-2-pyridinyl)oxy]-N-pyridin-3-ylbenzamide
CID 133328894
3-(methylamino)-4-nitro-N-pyridin-3-ylbenzamide
CID 62681560
4-fluoro-N-(2-pyridin-3-ylpyrimidin-5-yl)benzamide
CID 137419125
N-(4-fluorophenyl)-3-[(4-nitrobenzoyl)amino]benzamide
CID 26158826
2-chloro-N-(3-methyl-4-pyridin-3-yloxyphenyl)-4-nitrobenzamide
CID 60581315

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(4-nitro-3-pyridin-3-yloxyphenyl)benzamide?
The IUPAC name of 4-fluoro-N-(4-nitro-3-pyridin-3-yloxyphenyl)benzamide (CID 69092508) is 4-fluoro-N-(4-nitro-3-pyridin-3-yloxyphenyl)benzamide.
What is the SMILES notation for 4-fluoro-N-(4-nitro-3-pyridin-3-yloxyphenyl)benzamide?
The canonical SMILES for 4-fluoro-N-(4-nitro-3-pyridin-3-yloxyphenyl)benzamide is O=C(Nc1ccc([N+](=O)[O-])c(Oc2cccnc2)c1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(4-nitro-3-pyridin-3-yloxyphenyl)benzamide?
The InChIKey is OMMWDTMGTWOZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FN3O4/c19-13-5-3-12(4-6-13)18(23)21-14-7-8-16(22(24)25)17(10-14)26-15-2-1-9-20-11-15/h1-11H,(H,21,23).
What are the key properties of 4-fluoro-N-(4-nitro-3-pyridin-3-yloxyphenyl)benzamide?
4-fluoro-N-(4-nitro-3-pyridin-3-yloxyphenyl)benzamide has a molecular weight of 353.31 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(4-nitro-3-pyridin-3-yloxyphenyl)benzamide is sourced from PubChem (CID 69092508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).