2-(3-fluoro-4-nitrophenoxy)-N-(2-pyrazol-1-ylphenyl)acetamide

C17H13FN4O4 — CID 47085121

IUPAC2-(3-fluoro-4-nitrophenoxy)-N-(2-pyrazol-1-ylphenyl)acetamide
SMILESO=C(COc1ccc([N+](=O)[O-])c(F)c1)Nc1ccccc1-n1cccn1
InChIInChI=1S/C17H13FN4O4/c18-13-10-12(6-7-15(13)22(24)25)26-11-17(23)20-14-4-1-2-5-16(14)21-9-3-8-19-21/h1-10H,11H2,(H,20,23)
InChIKeyXMLMPLMMSMUHJR-UHFFFAOYSA-N
MW356.31 g/mol
LogP2.94
Rot. Bonds6

About 2-(3-fluoro-4-nitrophenoxy)-N-(2-pyrazol-1-ylphenyl)acetamide

2-(3-fluoro-4-nitrophenoxy)-N-(2-pyrazol-1-ylphenyl)acetamide (PubChem CID 47085121) has the molecular formula C17H13FN4O4 and a molecular weight of 356.31 g/mol. Its IUPAC name is 2-(3-fluoro-4-nitrophenoxy)-N-(2-pyrazol-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-fluoro-4-nitrophenoxy)-N-(2-pyrazol-1-ylphenyl)acetamide
PubChem CID47085121
Molecular FormulaC17H13FN4O4
Molecular Weight356.31 g/mol
Exact Mass356.09
IUPAC Name2-(3-fluoro-4-nitrophenoxy)-N-(2-pyrazol-1-ylphenyl)acetamide
SMILESO=C(COc1ccc([N+](=O)[O-])c(F)c1)Nc1ccccc1-n1cccn1
InChIInChI=1S/C17H13FN4O4/c18-13-10-12(6-7-15(13)22(24)25)26-11-17(23)20-14-4-1-2-5-16(14)21-9-3-8-19-21/h1-10H,11H2,(H,20,23)
InChIKeyXMLMPLMMSMUHJR-UHFFFAOYSA-N
XLogP2.94
TPSA99.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.31
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-nitropyrazol-1-yl)-N-(2-pyrazol-1-ylphenyl)acetamide
CID 87025087
N-(2-aminoethyl)-2-(3-fluoro-4-nitrophenoxy)acetamide;hydrochloride
CID 119384116
2-(2-fluorophenoxy)-N-(4-pyrazol-1-yl-3-pyridinyl)acetamide
CID 56786561
N-(cyanomethyl)-2-(3-fluoro-4-nitrophenoxy)acetamide
CID 78989504
2-(4-methoxyphenoxy)-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]acetamide
CID 26725520
N-(1-amino-2-methylpropan-2-yl)-2-(3-fluoro-4-nitrophenoxy)acetamide
CID 119523608
N-butan-2-yl-2-(3-fluoro-4-nitrophenoxy)acetamide
CID 47449672
2-(3-methoxy-4-nitrophenoxy)-N-(2-methylphenyl)acetamide
CID 30156679
methyl 2-[3-[(2-pyrazol-1-ylphenyl)carbamoyl]phenoxy]acetate
CID 154774881
4-hydroxy-N-(2-pyrazol-1-ylphenyl)butanamide
CID 79200496
2-(4-chlorophenoxy)-N-(2-pyrazol-1-yl-3-pyridinyl)acetamide
CID 30884754
2-(3-methylphenoxy)-N-(2-nitrophenyl)acetamide
CID 4531468

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-nitrophenoxy)-N-(2-pyrazol-1-ylphenyl)acetamide?
The IUPAC name of 2-(3-fluoro-4-nitrophenoxy)-N-(2-pyrazol-1-ylphenyl)acetamide (CID 47085121) is 2-(3-fluoro-4-nitrophenoxy)-N-(2-pyrazol-1-ylphenyl)acetamide.
What is the SMILES notation for 2-(3-fluoro-4-nitrophenoxy)-N-(2-pyrazol-1-ylphenyl)acetamide?
The canonical SMILES for 2-(3-fluoro-4-nitrophenoxy)-N-(2-pyrazol-1-ylphenyl)acetamide is O=C(COc1ccc([N+](=O)[O-])c(F)c1)Nc1ccccc1-n1cccn1.
What is the InChIKey of 2-(3-fluoro-4-nitrophenoxy)-N-(2-pyrazol-1-ylphenyl)acetamide?
The InChIKey is XMLMPLMMSMUHJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN4O4/c18-13-10-12(6-7-15(13)22(24)25)26-11-17(23)20-14-4-1-2-5-16(14)21-9-3-8-19-21/h1-10H,11H2,(H,20,23).
What are the key properties of 2-(3-fluoro-4-nitrophenoxy)-N-(2-pyrazol-1-ylphenyl)acetamide?
2-(3-fluoro-4-nitrophenoxy)-N-(2-pyrazol-1-ylphenyl)acetamide has a molecular weight of 356.31 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-nitrophenoxy)-N-(2-pyrazol-1-ylphenyl)acetamide is sourced from PubChem (CID 47085121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).