N-(4-fluoro-3-nitrophenyl)-2-(2-phenylphenoxy)acetamide

C20H15FN2O4 — CID 9212015

IUPACN-(4-fluoro-3-nitrophenyl)-2-(2-phenylphenoxy)acetamide
SMILESO=C(COc1ccccc1-c1ccccc1)Nc1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C20H15FN2O4/c21-17-11-10-15(12-18(17)23(25)26)22-20(24)13-27-19-9-5-4-8-16(19)14-6-2-1-3-7-14/h1-12H,13H2,(H,22,24)
InChIKeyDEBCSKKUNHLABR-UHFFFAOYSA-N
MW366.35 g/mol
LogP4.42
Rot. Bonds6

About N-(4-fluoro-3-nitrophenyl)-2-(2-phenylphenoxy)acetamide

N-(4-fluoro-3-nitrophenyl)-2-(2-phenylphenoxy)acetamide (PubChem CID 9212015) has the molecular formula C20H15FN2O4 and a molecular weight of 366.35 g/mol. Its IUPAC name is N-(4-fluoro-3-nitrophenyl)-2-(2-phenylphenoxy)acetamide.

Molecular Properties

Compound NameN-(4-fluoro-3-nitrophenyl)-2-(2-phenylphenoxy)acetamide
PubChem CID9212015
Molecular FormulaC20H15FN2O4
Molecular Weight366.35 g/mol
Exact Mass366.10
IUPAC NameN-(4-fluoro-3-nitrophenyl)-2-(2-phenylphenoxy)acetamide
SMILESO=C(COc1ccccc1-c1ccccc1)Nc1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C20H15FN2O4/c21-17-11-10-15(12-18(17)23(25)26)22-20(24)13-27-19-9-5-4-8-16(19)14-6-2-1-3-7-14/h1-12H,13H2,(H,22,24)
InChIKeyDEBCSKKUNHLABR-UHFFFAOYSA-N
XLogP4.42
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.35
LogP ≤ 54.42
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-(4-fluoro-3-nitrophenyl)-2-(2-fluorophenoxy)acetamide
CID 7478517
N-(3-nitrophenyl)-2-(2-phenylphenoxy)acetamide
CID 7779991
N-(4-fluoro-3-nitrophenyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide
CID 4840036
2-(2,4-dichlorophenoxy)-N-(4-fluoro-3-nitrophenyl)acetamide
CID 2500769
N-(4-chlorophenyl)-2-(2-phenylphenoxy)acetamide
CID 7894368
[2-(3,4-difluoroanilino)-2-oxoethyl] 2-(2-phenylphenoxy)acetate
CID 42963010
N-naphthalen-2-yl-2-(2-phenylphenoxy)acetamide
CID 7919445
N-(3,4-difluorophenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide
CID 2690908
2-(3-chlorophenoxy)-N-(4-fluoro-3-nitrophenyl)acetamide
CID 26696782
N-(4-fluoro-3-nitrophenyl)-2-(3-methoxyphenoxy)acetamide
CID 112787411
N-(4-fluoro-3-nitrophenyl)-2-(2-methoxyphenyl)acetamide
CID 3377488
2-(4-chloro-2,6-dimethylphenoxy)-N-(4-fluoro-3-nitrophenyl)acetamide
CID 9212730

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-nitrophenyl)-2-(2-phenylphenoxy)acetamide?
The IUPAC name of N-(4-fluoro-3-nitrophenyl)-2-(2-phenylphenoxy)acetamide (CID 9212015) is N-(4-fluoro-3-nitrophenyl)-2-(2-phenylphenoxy)acetamide.
What is the SMILES notation for N-(4-fluoro-3-nitrophenyl)-2-(2-phenylphenoxy)acetamide?
The canonical SMILES for N-(4-fluoro-3-nitrophenyl)-2-(2-phenylphenoxy)acetamide is O=C(COc1ccccc1-c1ccccc1)Nc1ccc(F)c([N+](=O)[O-])c1.
What is the InChIKey of N-(4-fluoro-3-nitrophenyl)-2-(2-phenylphenoxy)acetamide?
The InChIKey is DEBCSKKUNHLABR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN2O4/c21-17-11-10-15(12-18(17)23(25)26)22-20(24)13-27-19-9-5-4-8-16(19)14-6-2-1-3-7-14/h1-12H,13H2,(H,22,24).
What are the key properties of N-(4-fluoro-3-nitrophenyl)-2-(2-phenylphenoxy)acetamide?
N-(4-fluoro-3-nitrophenyl)-2-(2-phenylphenoxy)acetamide has a molecular weight of 366.35 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-3-nitrophenyl)-2-(2-phenylphenoxy)acetamide is sourced from PubChem (CID 9212015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).