N-(3,4-difluorophenyl)-2-(6-nitroindazol-1-yl)acetamide

C15H10F2N4O3 — CID 18151443

IUPACN-(3,4-difluorophenyl)-2-(6-nitroindazol-1-yl)acetamide
SMILESO=C(Cn1ncc2ccc([N+](=O)[O-])cc21)Nc1ccc(F)c(F)c1
InChIInChI=1S/C15H10F2N4O3/c16-12-4-2-10(5-13(12)17)19-15(22)8-20-14-6-11(21(23)24)3-1-9(14)7-18-20/h1-7H,8H2,(H,19,22)
InChIKeyFHDJYFJAMHCBAC-UHFFFAOYSA-N
MW332.27 g/mol
LogP2.86
Rot. Bonds4

About N-(3,4-difluorophenyl)-2-(6-nitroindazol-1-yl)acetamide

N-(3,4-difluorophenyl)-2-(6-nitroindazol-1-yl)acetamide (PubChem CID 18151443) has the molecular formula C15H10F2N4O3 and a molecular weight of 332.27 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2-(6-nitroindazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2-(6-nitroindazol-1-yl)acetamide
PubChem CID18151443
Molecular FormulaC15H10F2N4O3
Molecular Weight332.27 g/mol
Exact Mass332.07
IUPAC NameN-(3,4-difluorophenyl)-2-(6-nitroindazol-1-yl)acetamide
SMILESO=C(Cn1ncc2ccc([N+](=O)[O-])cc21)Nc1ccc(F)c(F)c1
InChIInChI=1S/C15H10F2N4O3/c16-12-4-2-10(5-13(12)17)19-15(22)8-20-14-6-11(21(23)24)3-1-9(14)7-18-20/h1-7H,8H2,(H,19,22)
InChIKeyFHDJYFJAMHCBAC-UHFFFAOYSA-N
XLogP2.86
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.27
LogP ≤ 52.86
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2-(6-nitroindazol-1-yl)acetamide?
The IUPAC name of N-(3,4-difluorophenyl)-2-(6-nitroindazol-1-yl)acetamide (CID 18151443) is N-(3,4-difluorophenyl)-2-(6-nitroindazol-1-yl)acetamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-2-(6-nitroindazol-1-yl)acetamide?
The canonical SMILES for N-(3,4-difluorophenyl)-2-(6-nitroindazol-1-yl)acetamide is O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)Nc1ccc(F)c(F)c1.
What is the InChIKey of N-(3,4-difluorophenyl)-2-(6-nitroindazol-1-yl)acetamide?
The InChIKey is FHDJYFJAMHCBAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2N4O3/c16-12-4-2-10(5-13(12)17)19-15(22)8-20-14-6-11(21(23)24)3-1-9(14)7-18-20/h1-7H,8H2,(H,19,22).
What are the key properties of N-(3,4-difluorophenyl)-2-(6-nitroindazol-1-yl)acetamide?
N-(3,4-difluorophenyl)-2-(6-nitroindazol-1-yl)acetamide has a molecular weight of 332.27 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-2-(6-nitroindazol-1-yl)acetamide is sourced from PubChem (CID 18151443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).