N-acetyl-N-[6-(2,4-difluorophenyl)-3-nitro-2-pyridinyl]acetamide

C15H11F2N3O4 — CID 158469877

IUPACN-acetyl-N-[6-(2,4-difluorophenyl)-3-nitro-2-pyridinyl]acetamide
SMILESCC(=O)N(C(C)=O)c1nc(-c2ccc(F)cc2F)ccc1[N+](=O)[O-]
InChIInChI=1S/C15H11F2N3O4/c1-8(21)19(9(2)22)15-14(20(23)24)6-5-13(18-15)11-4-3-10(16)7-12(11)17/h3-7H,1-2H3
InChIKeyHMCWQDPFDTZDJI-UHFFFAOYSA-N
MW335.27 g/mol
LogP2.83
Rot. Bonds3

About N-acetyl-N-[6-(2,4-difluorophenyl)-3-nitro-2-pyridinyl]acetamide

N-acetyl-N-[6-(2,4-difluorophenyl)-3-nitro-2-pyridinyl]acetamide (PubChem CID 158469877) has the molecular formula C15H11F2N3O4 and a molecular weight of 335.27 g/mol. Its IUPAC name is N-acetyl-N-[6-(2,4-difluorophenyl)-3-nitro-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-acetyl-N-[6-(2,4-difluorophenyl)-3-nitro-2-pyridinyl]acetamide
PubChem CID158469877
Molecular FormulaC15H11F2N3O4
Molecular Weight335.27 g/mol
Exact Mass335.07
IUPAC NameN-acetyl-N-[6-(2,4-difluorophenyl)-3-nitro-2-pyridinyl]acetamide
SMILESCC(=O)N(C(C)=O)c1nc(-c2ccc(F)cc2F)ccc1[N+](=O)[O-]
InChIInChI=1S/C15H11F2N3O4/c1-8(21)19(9(2)22)15-14(20(23)24)6-5-13(18-15)11-4-3-10(16)7-12(11)17/h3-7H,1-2H3
InChIKeyHMCWQDPFDTZDJI-UHFFFAOYSA-N
XLogP2.83
TPSA93.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.27
LogP ≤ 52.83
H-Bond Donors ≤ 50
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-acetyl-N-[6-(2,4-difluorophenyl)-3-nitro-2-pyridinyl]acetamide?
The IUPAC name of N-acetyl-N-[6-(2,4-difluorophenyl)-3-nitro-2-pyridinyl]acetamide (CID 158469877) is N-acetyl-N-[6-(2,4-difluorophenyl)-3-nitro-2-pyridinyl]acetamide.
What is the SMILES notation for N-acetyl-N-[6-(2,4-difluorophenyl)-3-nitro-2-pyridinyl]acetamide?
The canonical SMILES for N-acetyl-N-[6-(2,4-difluorophenyl)-3-nitro-2-pyridinyl]acetamide is CC(=O)N(C(C)=O)c1nc(-c2ccc(F)cc2F)ccc1[N+](=O)[O-].
What is the InChIKey of N-acetyl-N-[6-(2,4-difluorophenyl)-3-nitro-2-pyridinyl]acetamide?
The InChIKey is HMCWQDPFDTZDJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2N3O4/c1-8(21)19(9(2)22)15-14(20(23)24)6-5-13(18-15)11-4-3-10(16)7-12(11)17/h3-7H,1-2H3.
What are the key properties of N-acetyl-N-[6-(2,4-difluorophenyl)-3-nitro-2-pyridinyl]acetamide?
N-acetyl-N-[6-(2,4-difluorophenyl)-3-nitro-2-pyridinyl]acetamide has a molecular weight of 335.27 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-N-[6-(2,4-difluorophenyl)-3-nitro-2-pyridinyl]acetamide is sourced from PubChem (CID 158469877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).