N-[1-[2-(difluoromethoxy)phenyl]propyl]-2-(3-nitropyrazol-1-yl)acetamide

C15H16F2N4O4 — CID 55849911

IUPACN-[1-[2-(difluoromethoxy)phenyl]propyl]-2-(3-nitropyrazol-1-yl)acetamide
SMILESCCC(NC(=O)Cn1ccc([N+](=O)[O-])n1)c1ccccc1OC(F)F
InChIInChI=1S/C15H16F2N4O4/c1-2-11(10-5-3-4-6-12(10)25-15(16)17)18-14(22)9-20-8-7-13(19-20)21(23)24/h3-8,11,15H,2,9H2,1H3,(H,18,22)
InChIKeyMDWPOZLYTDMLNU-UHFFFAOYSA-N
MW354.31 g/mol
LogP2.66
Rot. Bonds8

About N-[1-[2-(difluoromethoxy)phenyl]propyl]-2-(3-nitropyrazol-1-yl)acetamide

N-[1-[2-(difluoromethoxy)phenyl]propyl]-2-(3-nitropyrazol-1-yl)acetamide (PubChem CID 55849911) has the molecular formula C15H16F2N4O4 and a molecular weight of 354.31 g/mol. Its IUPAC name is N-[1-[2-(difluoromethoxy)phenyl]propyl]-2-(3-nitropyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[1-[2-(difluoromethoxy)phenyl]propyl]-2-(3-nitropyrazol-1-yl)acetamide
PubChem CID55849911
Molecular FormulaC15H16F2N4O4
Molecular Weight354.31 g/mol
Exact Mass354.11
IUPAC NameN-[1-[2-(difluoromethoxy)phenyl]propyl]-2-(3-nitropyrazol-1-yl)acetamide
SMILESCCC(NC(=O)Cn1ccc([N+](=O)[O-])n1)c1ccccc1OC(F)F
InChIInChI=1S/C15H16F2N4O4/c1-2-11(10-5-3-4-6-12(10)25-15(16)17)18-14(22)9-20-8-7-13(19-20)21(23)24/h3-8,11,15H,2,9H2,1H3,(H,18,22)
InChIKeyMDWPOZLYTDMLNU-UHFFFAOYSA-N
XLogP2.66
TPSA99.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.31
LogP ≤ 52.66
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

N-(1-hydroxypentan-3-yl)-2-(3-nitropyrazol-1-yl)acetamide
CID 115767353
ethyl 2-[[2-(3-nitropyrazol-1-yl)acetyl]amino]propanoate
CID 47415830
N-[1-[2-(difluoromethoxy)phenyl]propyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide
CID 55656108
N-[(1S)-1-[2-(difluoromethoxy)phenyl]propyl]-2-phenoxyacetamide
CID 34703779
N-[1-[2-(difluoromethoxy)phenyl]propyl]-2-(4-oxocinnolin-1-yl)acetamide
CID 55656292
N-[1-[2-(difluoromethoxy)phenyl]propyl]-5-methyl-1-(3-nitrophenyl)triazole-4-carboxamide
CID 55672725
N-[(1R)-1-[2-(difluoromethoxy)phenyl]propyl]-2-(2-oxoazepan-1-yl)acetamide
CID 34696990
2-(3-nitropyrazol-1-yl)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]acetamide
CID 55847698
N-[1-[2-(difluoromethoxy)phenyl]propyl]-3-methyl-4-oxophthalazine-1-carboxamide
CID 55672960
2-methyl-3-[[2-(3-nitropyrazol-1-yl)acetyl]amino]butanoic acid
CID 113415838
N-[(1S)-1-[2-(difluoromethoxy)phenyl]propyl]-3-phenoxypropanamide
CID 51942664
N-[1-[2-(difluoromethoxy)phenyl]propyl]-1-oxidopyridin-1-ium-2-carboxamide
CID 60511438

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(difluoromethoxy)phenyl]propyl]-2-(3-nitropyrazol-1-yl)acetamide?
The IUPAC name of N-[1-[2-(difluoromethoxy)phenyl]propyl]-2-(3-nitropyrazol-1-yl)acetamide (CID 55849911) is N-[1-[2-(difluoromethoxy)phenyl]propyl]-2-(3-nitropyrazol-1-yl)acetamide.
What is the SMILES notation for N-[1-[2-(difluoromethoxy)phenyl]propyl]-2-(3-nitropyrazol-1-yl)acetamide?
The canonical SMILES for N-[1-[2-(difluoromethoxy)phenyl]propyl]-2-(3-nitropyrazol-1-yl)acetamide is CCC(NC(=O)Cn1ccc([N+](=O)[O-])n1)c1ccccc1OC(F)F.
What is the InChIKey of N-[1-[2-(difluoromethoxy)phenyl]propyl]-2-(3-nitropyrazol-1-yl)acetamide?
The InChIKey is MDWPOZLYTDMLNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N4O4/c1-2-11(10-5-3-4-6-12(10)25-15(16)17)18-14(22)9-20-8-7-13(19-20)21(23)24/h3-8,11,15H,2,9H2,1H3,(H,18,22).
What are the key properties of N-[1-[2-(difluoromethoxy)phenyl]propyl]-2-(3-nitropyrazol-1-yl)acetamide?
N-[1-[2-(difluoromethoxy)phenyl]propyl]-2-(3-nitropyrazol-1-yl)acetamide has a molecular weight of 354.31 g/mol, XLogP of 2.66, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(difluoromethoxy)phenyl]propyl]-2-(3-nitropyrazol-1-yl)acetamide is sourced from PubChem (CID 55849911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).