N-[5-(2-fluorophenoxy)-4-methyl-2-nitrophenyl]acetamide

C15H13FN2O4 — CID 540835

IUPACN-[5-(2-fluorophenoxy)-4-methyl-2-nitrophenyl]acetamide
SMILESCC(=O)Nc1cc(Oc2ccccc2F)c(C)cc1[N+](=O)[O-]
InChIInChI=1S/C15H13FN2O4/c1-9-7-13(18(20)21)12(17-10(2)19)8-15(9)22-14-6-4-3-5-11(14)16/h3-8H,1-2H3,(H,17,19)
InChIKeyXOQBESRXTLEYMZ-UHFFFAOYSA-N
MW304.28 g/mol
LogP3.79
Rot. Bonds4

About N-[5-(2-fluorophenoxy)-4-methyl-2-nitrophenyl]acetamide

N-[5-(2-fluorophenoxy)-4-methyl-2-nitrophenyl]acetamide (PubChem CID 540835) has the molecular formula C15H13FN2O4 and a molecular weight of 304.28 g/mol. Its IUPAC name is N-[5-(2-fluorophenoxy)-4-methyl-2-nitrophenyl]acetamide.

Molecular Properties

Compound NameN-[5-(2-fluorophenoxy)-4-methyl-2-nitrophenyl]acetamide
PubChem CID540835
Molecular FormulaC15H13FN2O4
Molecular Weight304.28 g/mol
Exact Mass304.09
IUPAC NameN-[5-(2-fluorophenoxy)-4-methyl-2-nitrophenyl]acetamide
SMILESCC(=O)Nc1cc(Oc2ccccc2F)c(C)cc1[N+](=O)[O-]
InChIInChI=1S/C15H13FN2O4/c1-9-7-13(18(20)21)12(17-10(2)19)8-15(9)22-14-6-4-3-5-11(14)16/h3-8H,1-2H3,(H,17,19)
InChIKeyXOQBESRXTLEYMZ-UHFFFAOYSA-N
XLogP3.79
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.28
LogP ≤ 53.79
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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Frequently Asked Questions

What is the IUPAC name of N-[5-(2-fluorophenoxy)-4-methyl-2-nitrophenyl]acetamide?
The IUPAC name of N-[5-(2-fluorophenoxy)-4-methyl-2-nitrophenyl]acetamide (CID 540835) is N-[5-(2-fluorophenoxy)-4-methyl-2-nitrophenyl]acetamide.
What is the SMILES notation for N-[5-(2-fluorophenoxy)-4-methyl-2-nitrophenyl]acetamide?
The canonical SMILES for N-[5-(2-fluorophenoxy)-4-methyl-2-nitrophenyl]acetamide is CC(=O)Nc1cc(Oc2ccccc2F)c(C)cc1[N+](=O)[O-].
What is the InChIKey of N-[5-(2-fluorophenoxy)-4-methyl-2-nitrophenyl]acetamide?
The InChIKey is XOQBESRXTLEYMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O4/c1-9-7-13(18(20)21)12(17-10(2)19)8-15(9)22-14-6-4-3-5-11(14)16/h3-8H,1-2H3,(H,17,19).
What are the key properties of N-[5-(2-fluorophenoxy)-4-methyl-2-nitrophenyl]acetamide?
N-[5-(2-fluorophenoxy)-4-methyl-2-nitrophenyl]acetamide has a molecular weight of 304.28 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-fluorophenoxy)-4-methyl-2-nitrophenyl]acetamide is sourced from PubChem (CID 540835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).