1-N-[6-(2-fluorophenyl)-3-pyridinyl]-2-nitrobenzene-1,4-dicarboxamide

C19H13FN4O4 — CID 122513686

IUPAC1-N-[6-(2-fluorophenyl)-3-pyridinyl]-2-nitrobenzene-1,4-dicarboxamide
SMILESNC(=O)c1ccc(C(=O)Nc2ccc(-c3ccccc3F)nc2)c([N+](=O)[O-])c1
InChIInChI=1S/C19H13FN4O4/c20-15-4-2-1-3-13(15)16-8-6-12(10-22-16)23-19(26)14-7-5-11(18(21)25)9-17(14)24(27)28/h1-10H,(H2,21,25)(H,23,26)
InChIKeyVULFSCZVMOKHJG-UHFFFAOYSA-N
MW380.34 g/mol
LogP3.15
Rot. Bonds5

About 1-N-[6-(2-fluorophenyl)-3-pyridinyl]-2-nitrobenzene-1,4-dicarboxamide

1-N-[6-(2-fluorophenyl)-3-pyridinyl]-2-nitrobenzene-1,4-dicarboxamide (PubChem CID 122513686) has the molecular formula C19H13FN4O4 and a molecular weight of 380.34 g/mol. Its IUPAC name is 1-N-[6-(2-fluorophenyl)-3-pyridinyl]-2-nitrobenzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-[6-(2-fluorophenyl)-3-pyridinyl]-2-nitrobenzene-1,4-dicarboxamide
PubChem CID122513686
Molecular FormulaC19H13FN4O4
Molecular Weight380.34 g/mol
Exact Mass380.09
IUPAC Name1-N-[6-(2-fluorophenyl)-3-pyridinyl]-2-nitrobenzene-1,4-dicarboxamide
SMILESNC(=O)c1ccc(C(=O)Nc2ccc(-c3ccccc3F)nc2)c([N+](=O)[O-])c1
InChIInChI=1S/C19H13FN4O4/c20-15-4-2-1-3-13(15)16-8-6-12(10-22-16)23-19(26)14-7-5-11(18(21)25)9-17(14)24(27)28/h1-10H,(H2,21,25)(H,23,26)
InChIKeyVULFSCZVMOKHJG-UHFFFAOYSA-N
XLogP3.15
TPSA128.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.34
LogP ≤ 53.15
H-Bond Donors ≤ 52
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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Related Compounds

3-amino-N-[6-(2-fluorophenyl)-3-pyridinyl]-4-(trifluoromethoxy)benzamide
CID 90459684
1-N-[6-(2-fluorophenyl)-3-pyridinyl]-3-N-pyridin-4-yl-4-(trifluoromethoxy)benzene-1,3-dicarboxamide
CID 122480415
4-fluoro-3-nitro-N-pyridin-3-ylbenzamide
CID 43215734
4-chloro-2-nitro-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]benzamide
CID 46467097
2,5-difluoro-N-(6-methyl-3-pyridinyl)-4-nitrobenzamide
CID 104699464
6-(2-fluorophenyl)-N-(4-propylphenyl)pyridine-3-carboxamide
CID 58639533
3-fluoro-4-nitrobenzamide
CID 11423967
N-[6-(dimethylamino)-3-pyridinyl]-2-nitrobenzamide
CID 46699592
3-(6-chloro-5-fluoro-3-pyridinyl)-4-nitrobenzamide
CID 152692140
3-nitro-4-[[2-(phenylcarbamoyl)anilino]methyl]benzamide
CID 99165222
N-(4-aminophenyl)-4,5-difluoro-2-nitrobenzamide
CID 63214695
2-nitro-N-[3-[(2-nitrobenzoyl)amino]phenyl]benzamide
CID 4524835

Frequently Asked Questions

What is the IUPAC name of 1-N-[6-(2-fluorophenyl)-3-pyridinyl]-2-nitrobenzene-1,4-dicarboxamide?
The IUPAC name of 1-N-[6-(2-fluorophenyl)-3-pyridinyl]-2-nitrobenzene-1,4-dicarboxamide (CID 122513686) is 1-N-[6-(2-fluorophenyl)-3-pyridinyl]-2-nitrobenzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N-[6-(2-fluorophenyl)-3-pyridinyl]-2-nitrobenzene-1,4-dicarboxamide?
The canonical SMILES for 1-N-[6-(2-fluorophenyl)-3-pyridinyl]-2-nitrobenzene-1,4-dicarboxamide is NC(=O)c1ccc(C(=O)Nc2ccc(-c3ccccc3F)nc2)c([N+](=O)[O-])c1.
What is the InChIKey of 1-N-[6-(2-fluorophenyl)-3-pyridinyl]-2-nitrobenzene-1,4-dicarboxamide?
The InChIKey is VULFSCZVMOKHJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN4O4/c20-15-4-2-1-3-13(15)16-8-6-12(10-22-16)23-19(26)14-7-5-11(18(21)25)9-17(14)24(27)28/h1-10H,(H2,21,25)(H,23,26).
What are the key properties of 1-N-[6-(2-fluorophenyl)-3-pyridinyl]-2-nitrobenzene-1,4-dicarboxamide?
1-N-[6-(2-fluorophenyl)-3-pyridinyl]-2-nitrobenzene-1,4-dicarboxamide has a molecular weight of 380.34 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[6-(2-fluorophenyl)-3-pyridinyl]-2-nitrobenzene-1,4-dicarboxamide is sourced from PubChem (CID 122513686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).