N-(4-fluoro-3-nitrophenyl)-2-methoxy-5-nitrobenzamide

C14H10FN3O6 — CID 60606316

IUPACN-(4-fluoro-3-nitrophenyl)-2-methoxy-5-nitrobenzamide
SMILESCOc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C14H10FN3O6/c1-24-13-5-3-9(17(20)21)7-10(13)14(19)16-8-2-4-11(15)12(6-8)18(22)23/h2-7H,1H3,(H,16,19)
InChIKeyAJONBTHDSWKXSK-UHFFFAOYSA-N
MW335.25 g/mol
LogP2.90
Rot. Bonds5

About N-(4-fluoro-3-nitrophenyl)-2-methoxy-5-nitrobenzamide

N-(4-fluoro-3-nitrophenyl)-2-methoxy-5-nitrobenzamide (PubChem CID 60606316) has the molecular formula C14H10FN3O6 and a molecular weight of 335.25 g/mol. Its IUPAC name is N-(4-fluoro-3-nitrophenyl)-2-methoxy-5-nitrobenzamide.

Molecular Properties

Compound NameN-(4-fluoro-3-nitrophenyl)-2-methoxy-5-nitrobenzamide
PubChem CID60606316
Molecular FormulaC14H10FN3O6
Molecular Weight335.25 g/mol
Exact Mass335.06
IUPAC NameN-(4-fluoro-3-nitrophenyl)-2-methoxy-5-nitrobenzamide
SMILESCOc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C14H10FN3O6/c1-24-13-5-3-9(17(20)21)7-10(13)14(19)16-8-2-4-11(15)12(6-8)18(22)23/h2-7H,1H3,(H,16,19)
InChIKeyAJONBTHDSWKXSK-UHFFFAOYSA-N
XLogP2.90
TPSA124.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.25
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(4-fluoro-3-nitrophenyl)-2-methoxy-5-nitrobenzamide 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-(4-chlorophenyl)-2-methoxy-5-nitrobenzamide
CID 9043665
2-methoxy-N-[4-(methylcarbamoyl)phenyl]-5-nitrobenzamide
CID 9158588
N-(3,4-dipropoxyphenyl)-2-methoxy-5-nitrobenzamide
CID 9376413
5-bromo-2-methoxy-N-(4-methoxy-3-nitrophenyl)benzamide
CID 2994913
N-[4-(diethylamino)phenyl]-2-methoxy-5-nitrobenzamide
CID 46410238
2-fluoro-N-(4-methylphenyl)-5-nitrobenzamide
CID 43377467
N-(2-acetamido-1,3-benzothiazol-6-yl)-2-methoxy-5-nitrobenzamide
CID 55969851
N-[4-(diethylsulfamoyl)phenyl]-2-methoxy-5-nitrobenzamide
CID 9203751
2-(difluoromethoxy)-N-(3-fluoro-4-methylphenyl)-5-nitrobenzamide
CID 112806014
4-(4-chloro-2-nitrophenoxy)-N-(4-fluoro-3-nitrophenyl)-3-methoxybenzamide
CID 26696729
2-methoxy-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-5-nitrobenzamide
CID 46426545
N-(4-methoxy-3-nitrophenyl)-3-nitrobenzamide
CID 2307230

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-nitrophenyl)-2-methoxy-5-nitrobenzamide?
The IUPAC name of N-(4-fluoro-3-nitrophenyl)-2-methoxy-5-nitrobenzamide (CID 60606316) is N-(4-fluoro-3-nitrophenyl)-2-methoxy-5-nitrobenzamide.
What is the SMILES notation for N-(4-fluoro-3-nitrophenyl)-2-methoxy-5-nitrobenzamide?
The canonical SMILES for N-(4-fluoro-3-nitrophenyl)-2-methoxy-5-nitrobenzamide is COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(F)c([N+](=O)[O-])c1.
What is the InChIKey of N-(4-fluoro-3-nitrophenyl)-2-methoxy-5-nitrobenzamide?
The InChIKey is AJONBTHDSWKXSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3O6/c1-24-13-5-3-9(17(20)21)7-10(13)14(19)16-8-2-4-11(15)12(6-8)18(22)23/h2-7H,1H3,(H,16,19).
What are the key properties of N-(4-fluoro-3-nitrophenyl)-2-methoxy-5-nitrobenzamide?
N-(4-fluoro-3-nitrophenyl)-2-methoxy-5-nitrobenzamide has a molecular weight of 335.25 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-3-nitrophenyl)-2-methoxy-5-nitrobenzamide is sourced from PubChem (CID 60606316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).