2-(5-fluoro-2-nitrophenoxy)-N-(phenylcarbamoyl)acetamide

C15H12FN3O5 — CID 26814603

IUPAC2-(5-fluoro-2-nitrophenoxy)-N-(phenylcarbamoyl)acetamide
SMILESO=C(COc1cc(F)ccc1[N+](=O)[O-])NC(=O)Nc1ccccc1
InChIInChI=1S/C15H12FN3O5/c16-10-6-7-12(19(22)23)13(8-10)24-9-14(20)18-15(21)17-11-4-2-1-3-5-11/h1-8H,9H2,(H2,17,18,20,21)
InChIKeyPWRNTRHAFMREBM-UHFFFAOYSA-N
MW333.28 g/mol
LogP2.46
Rot. Bonds5

About 2-(5-fluoro-2-nitrophenoxy)-N-(phenylcarbamoyl)acetamide

2-(5-fluoro-2-nitrophenoxy)-N-(phenylcarbamoyl)acetamide (PubChem CID 26814603) has the molecular formula C15H12FN3O5 and a molecular weight of 333.28 g/mol. Its IUPAC name is 2-(5-fluoro-2-nitrophenoxy)-N-(phenylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(5-fluoro-2-nitrophenoxy)-N-(phenylcarbamoyl)acetamide
PubChem CID26814603
Molecular FormulaC15H12FN3O5
Molecular Weight333.28 g/mol
Exact Mass333.08
IUPAC Name2-(5-fluoro-2-nitrophenoxy)-N-(phenylcarbamoyl)acetamide
SMILESO=C(COc1cc(F)ccc1[N+](=O)[O-])NC(=O)Nc1ccccc1
InChIInChI=1S/C15H12FN3O5/c16-10-6-7-12(19(22)23)13(8-10)24-9-14(20)18-15(21)17-11-4-2-1-3-5-11/h1-8H,9H2,(H2,17,18,20,21)
InChIKeyPWRNTRHAFMREBM-UHFFFAOYSA-N
XLogP2.46
TPSA110.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.28
LogP ≤ 52.46
H-Bond Donors ≤ 52
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'}

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Related Compounds

2-(5-fluoro-2-nitrophenoxy)-N-(2-phenoxyphenyl)acetamide
CID 2690910
N-(2,6-difluorophenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide
CID 7438488
2-(5-fluoro-2-nitrophenoxy)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 7846238
N-(4-tert-butylphenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide
CID 7438477
N-(3,4-difluorophenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide
CID 2690908
2-(5-fluoro-2-nitrophenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 7846247
2-(5-fluoro-2-nitrophenoxy)-N-(3-sulfamoylphenyl)acetamide
CID 7846097
N-(2,6-diethylphenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide
CID 2690932
N-(3,5-difluorophenyl)-2-(2-nitrophenoxy)acetamide
CID 41161775
N-(4-butan-2-ylphenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide
CID 78289991
N-(2,3-dimethylphenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide
CID 2690891
N-[4-[2-(5-fluoro-2-nitrophenoxy)acetyl]phenyl]propanamide
CID 7438373

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-nitrophenoxy)-N-(phenylcarbamoyl)acetamide?
The IUPAC name of 2-(5-fluoro-2-nitrophenoxy)-N-(phenylcarbamoyl)acetamide (CID 26814603) is 2-(5-fluoro-2-nitrophenoxy)-N-(phenylcarbamoyl)acetamide.
What is the SMILES notation for 2-(5-fluoro-2-nitrophenoxy)-N-(phenylcarbamoyl)acetamide?
The canonical SMILES for 2-(5-fluoro-2-nitrophenoxy)-N-(phenylcarbamoyl)acetamide is O=C(COc1cc(F)ccc1[N+](=O)[O-])NC(=O)Nc1ccccc1.
What is the InChIKey of 2-(5-fluoro-2-nitrophenoxy)-N-(phenylcarbamoyl)acetamide?
The InChIKey is PWRNTRHAFMREBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O5/c16-10-6-7-12(19(22)23)13(8-10)24-9-14(20)18-15(21)17-11-4-2-1-3-5-11/h1-8H,9H2,(H2,17,18,20,21).
What are the key properties of 2-(5-fluoro-2-nitrophenoxy)-N-(phenylcarbamoyl)acetamide?
2-(5-fluoro-2-nitrophenoxy)-N-(phenylcarbamoyl)acetamide has a molecular weight of 333.28 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-nitrophenoxy)-N-(phenylcarbamoyl)acetamide is sourced from PubChem (CID 26814603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).