N-[2-(3-fluorophenoxy)phenyl]-3-methyl-4-nitrobenzamide

C20H15FN2O4 — CID 52725278

IUPACN-[2-(3-fluorophenoxy)phenyl]-3-methyl-4-nitrobenzamide
SMILESCc1cc(C(=O)Nc2ccccc2Oc2cccc(F)c2)ccc1[N+](=O)[O-]
InChIInChI=1S/C20H15FN2O4/c1-13-11-14(9-10-18(13)23(25)26)20(24)22-17-7-2-3-8-19(17)27-16-6-4-5-15(21)12-16/h2-12H,1H3,(H,22,24)
InChIKeyHKBQMSXUMPBTKZ-UHFFFAOYSA-N
MW366.35 g/mol
LogP5.09
Rot. Bonds5

About N-[2-(3-fluorophenoxy)phenyl]-3-methyl-4-nitrobenzamide

N-[2-(3-fluorophenoxy)phenyl]-3-methyl-4-nitrobenzamide (PubChem CID 52725278) has the molecular formula C20H15FN2O4 and a molecular weight of 366.35 g/mol. Its IUPAC name is N-[2-(3-fluorophenoxy)phenyl]-3-methyl-4-nitrobenzamide.

Molecular Properties

Compound NameN-[2-(3-fluorophenoxy)phenyl]-3-methyl-4-nitrobenzamide
PubChem CID52725278
Molecular FormulaC20H15FN2O4
Molecular Weight366.35 g/mol
Exact Mass366.10
IUPAC NameN-[2-(3-fluorophenoxy)phenyl]-3-methyl-4-nitrobenzamide
SMILESCc1cc(C(=O)Nc2ccccc2Oc2cccc(F)c2)ccc1[N+](=O)[O-]
InChIInChI=1S/C20H15FN2O4/c1-13-11-14(9-10-18(13)23(25)26)20(24)22-17-7-2-3-8-19(17)27-16-6-4-5-15(21)12-16/h2-12H,1H3,(H,22,24)
InChIKeyHKBQMSXUMPBTKZ-UHFFFAOYSA-N
XLogP5.09
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.35
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-fluorophenoxy)phenyl]-3-nitro-4-pyrrolidin-1-ylbenzamide
CID 52725272
4-methyl-3-nitro-N-(2-phenoxyphenyl)benzamide
CID 3405198
3-methyl-4-nitro-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 16960800
4-bromo-3-(dimethylsulfamoyl)-N-[2-(3-fluorophenoxy)phenyl]benzamide
CID 60557163
4-[[2-[2-(3-fluorophenoxy)anilino]acetyl]amino]-N-(2-methoxyphenyl)benzamide
CID 55989473
3-methyl-4-nitro-N-[2-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 1251637
4-methyl-3-nitro-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 17396372
3-methyl-4-nitro-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzamide
CID 16962409
3-(tert-butylsulfamoyl)-N-[2-(3-fluorophenoxy)phenyl]-4-methoxybenzamide
CID 55981707
N-[2-(tert-butylcarbamoyl)phenyl]-3-methyl-4-nitrobenzamide
CID 17256604
2-(5-fluoro-2-nitrophenoxy)-N-(2-phenoxyphenyl)acetamide
CID 2690910
(5-fluoro-2-nitrophenyl) 3-benzamido-4-methylbenzoate
CID 55630640

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenoxy)phenyl]-3-methyl-4-nitrobenzamide?
The IUPAC name of N-[2-(3-fluorophenoxy)phenyl]-3-methyl-4-nitrobenzamide (CID 52725278) is N-[2-(3-fluorophenoxy)phenyl]-3-methyl-4-nitrobenzamide.
What is the SMILES notation for N-[2-(3-fluorophenoxy)phenyl]-3-methyl-4-nitrobenzamide?
The canonical SMILES for N-[2-(3-fluorophenoxy)phenyl]-3-methyl-4-nitrobenzamide is Cc1cc(C(=O)Nc2ccccc2Oc2cccc(F)c2)ccc1[N+](=O)[O-].
What is the InChIKey of N-[2-(3-fluorophenoxy)phenyl]-3-methyl-4-nitrobenzamide?
The InChIKey is HKBQMSXUMPBTKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN2O4/c1-13-11-14(9-10-18(13)23(25)26)20(24)22-17-7-2-3-8-19(17)27-16-6-4-5-15(21)12-16/h2-12H,1H3,(H,22,24).
What are the key properties of N-[2-(3-fluorophenoxy)phenyl]-3-methyl-4-nitrobenzamide?
N-[2-(3-fluorophenoxy)phenyl]-3-methyl-4-nitrobenzamide has a molecular weight of 366.35 g/mol, XLogP of 5.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenoxy)phenyl]-3-methyl-4-nitrobenzamide is sourced from PubChem (CID 52725278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).