N-[(2-fluorophenyl)methyl]-2-(3-methyl-4-nitrophenoxy)acetamide

C16H15FN2O4 — CID 8648197

IUPACN-[(2-fluorophenyl)methyl]-2-(3-methyl-4-nitrophenoxy)acetamide
SMILESCc1cc(OCC(=O)NCc2ccccc2F)ccc1[N+](=O)[O-]
InChIInChI=1S/C16H15FN2O4/c1-11-8-13(6-7-15(11)19(21)22)23-10-16(20)18-9-12-4-2-3-5-14(12)17/h2-8H,9-10H2,1H3,(H,18,20)
InChIKeyXYBVGFKVHQYRSX-UHFFFAOYSA-N
MW318.30 g/mol
LogP2.74
Rot. Bonds6

About N-[(2-fluorophenyl)methyl]-2-(3-methyl-4-nitrophenoxy)acetamide

N-[(2-fluorophenyl)methyl]-2-(3-methyl-4-nitrophenoxy)acetamide (PubChem CID 8648197) has the molecular formula C16H15FN2O4 and a molecular weight of 318.30 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-2-(3-methyl-4-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-2-(3-methyl-4-nitrophenoxy)acetamide
PubChem CID8648197
Molecular FormulaC16H15FN2O4
Molecular Weight318.30 g/mol
Exact Mass318.10
IUPAC NameN-[(2-fluorophenyl)methyl]-2-(3-methyl-4-nitrophenoxy)acetamide
SMILESCc1cc(OCC(=O)NCc2ccccc2F)ccc1[N+](=O)[O-]
InChIInChI=1S/C16H15FN2O4/c1-11-8-13(6-7-15(11)19(21)22)23-10-16(20)18-9-12-4-2-3-5-14(12)17/h2-8H,9-10H2,1H3,(H,18,20)
InChIKeyXYBVGFKVHQYRSX-UHFFFAOYSA-N
XLogP2.74
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 52.74
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

2-(3-methyl-4-nitrophenoxy)-N-[(2-methylphenyl)methyl]acetamide
CID 51216495
2-(3-methyl-4-nitrophenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 31880526
2-(3-methyl-4-nitrophenoxy)acetohydrazide
CID 2063569
3-[[2-(3-methyl-4-nitrophenoxy)acetyl]amino]propanoic acid
CID 53264025
2-(3,4-dichlorophenoxy)-N-[(2-fluorophenyl)methyl]acetamide
CID 9196943
N-tert-butyl-2-(3-methyl-4-nitrophenoxy)acetamide
CID 1406792
2-(3-methyl-4-nitrophenoxy)-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 31880593
N-[(2-fluorophenyl)methyl]-2-(4-formyl-2-nitrophenoxy)acetamide
CID 8641124
2-[[2-(3-methyl-4-nitrophenoxy)acetyl]amino]-N-propylacetamide
CID 8648040
2-(3-methyl-4-nitrophenoxy)-N-(3-phenylsulfanylpropyl)acetamide
CID 8648025
2-(3-methyl-4-nitrophenoxy)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]acetamide
CID 154755494
[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 5-methylsulfanyl-2-nitrobenzoate
CID 27005231

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-2-(3-methyl-4-nitrophenoxy)acetamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-2-(3-methyl-4-nitrophenoxy)acetamide (CID 8648197) is N-[(2-fluorophenyl)methyl]-2-(3-methyl-4-nitrophenoxy)acetamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-2-(3-methyl-4-nitrophenoxy)acetamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-2-(3-methyl-4-nitrophenoxy)acetamide is Cc1cc(OCC(=O)NCc2ccccc2F)ccc1[N+](=O)[O-].
What is the InChIKey of N-[(2-fluorophenyl)methyl]-2-(3-methyl-4-nitrophenoxy)acetamide?
The InChIKey is XYBVGFKVHQYRSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O4/c1-11-8-13(6-7-15(11)19(21)22)23-10-16(20)18-9-12-4-2-3-5-14(12)17/h2-8H,9-10H2,1H3,(H,18,20).
What are the key properties of N-[(2-fluorophenyl)methyl]-2-(3-methyl-4-nitrophenoxy)acetamide?
N-[(2-fluorophenyl)methyl]-2-(3-methyl-4-nitrophenoxy)acetamide has a molecular weight of 318.30 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-2-(3-methyl-4-nitrophenoxy)acetamide is sourced from PubChem (CID 8648197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).