N-(3-fluoro-4-methylphenyl)-2-(6-nitroindazol-1-yl)acetamide

C16H13FN4O3 — CID 18134596

IUPACN-(3-fluoro-4-methylphenyl)-2-(6-nitroindazol-1-yl)acetamide
SMILESCc1ccc(NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)cc1F
InChIInChI=1S/C16H13FN4O3/c1-10-2-4-12(6-14(10)17)19-16(22)9-20-15-7-13(21(23)24)5-3-11(15)8-18-20/h2-8H,9H2,1H3,(H,19,22)
InChIKeyWOYSRBZJHJGMTQ-UHFFFAOYSA-N
MW328.30 g/mol
LogP3.03
Rot. Bonds4

About N-(3-fluoro-4-methylphenyl)-2-(6-nitroindazol-1-yl)acetamide

N-(3-fluoro-4-methylphenyl)-2-(6-nitroindazol-1-yl)acetamide (PubChem CID 18134596) has the molecular formula C16H13FN4O3 and a molecular weight of 328.30 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)-2-(6-nitroindazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)-2-(6-nitroindazol-1-yl)acetamide
PubChem CID18134596
Molecular FormulaC16H13FN4O3
Molecular Weight328.30 g/mol
Exact Mass328.10
IUPAC NameN-(3-fluoro-4-methylphenyl)-2-(6-nitroindazol-1-yl)acetamide
SMILESCc1ccc(NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)cc1F
InChIInChI=1S/C16H13FN4O3/c1-10-2-4-12(6-14(10)17)19-16(22)9-20-15-7-13(21(23)24)5-3-11(15)8-18-20/h2-8H,9H2,1H3,(H,19,22)
InChIKeyWOYSRBZJHJGMTQ-UHFFFAOYSA-N
XLogP3.03
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.30
LogP ≤ 53.03
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-fluoro-4-methylphenyl)-2-(6-nitroindazol-1-yl)acetamide?
The IUPAC name of N-(3-fluoro-4-methylphenyl)-2-(6-nitroindazol-1-yl)acetamide (CID 18134596) is N-(3-fluoro-4-methylphenyl)-2-(6-nitroindazol-1-yl)acetamide.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)-2-(6-nitroindazol-1-yl)acetamide?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)-2-(6-nitroindazol-1-yl)acetamide is Cc1ccc(NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)cc1F.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)-2-(6-nitroindazol-1-yl)acetamide?
The InChIKey is WOYSRBZJHJGMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN4O3/c1-10-2-4-12(6-14(10)17)19-16(22)9-20-15-7-13(21(23)24)5-3-11(15)8-18-20/h2-8H,9H2,1H3,(H,19,22).
What are the key properties of N-(3-fluoro-4-methylphenyl)-2-(6-nitroindazol-1-yl)acetamide?
N-(3-fluoro-4-methylphenyl)-2-(6-nitroindazol-1-yl)acetamide has a molecular weight of 328.30 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methylphenyl)-2-(6-nitroindazol-1-yl)acetamide is sourced from PubChem (CID 18134596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).