N-[6-(2-fluorophenyl)-3-pyridinyl]-4-methoxy-3-nitrobenzamide

C19H14FN3O4 — CID 90459222

IUPACN-[6-(2-fluorophenyl)-3-pyridinyl]-4-methoxy-3-nitrobenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(-c3ccccc3F)nc2)cc1[N+](=O)[O-]
InChIInChI=1S/C19H14FN3O4/c1-27-18-9-6-12(10-17(18)23(25)26)19(24)22-13-7-8-16(21-11-13)14-4-2-3-5-15(14)20/h2-11H,1H3,(H,22,24)
InChIKeyNZAUYRGZGKGFHA-UHFFFAOYSA-N
MW367.34 g/mol
LogP4.06
Rot. Bonds5

About N-[6-(2-fluorophenyl)-3-pyridinyl]-4-methoxy-3-nitrobenzamide

N-[6-(2-fluorophenyl)-3-pyridinyl]-4-methoxy-3-nitrobenzamide (PubChem CID 90459222) has the molecular formula C19H14FN3O4 and a molecular weight of 367.34 g/mol. Its IUPAC name is N-[6-(2-fluorophenyl)-3-pyridinyl]-4-methoxy-3-nitrobenzamide.

Molecular Properties

Compound NameN-[6-(2-fluorophenyl)-3-pyridinyl]-4-methoxy-3-nitrobenzamide
PubChem CID90459222
Molecular FormulaC19H14FN3O4
Molecular Weight367.34 g/mol
Exact Mass367.10
IUPAC NameN-[6-(2-fluorophenyl)-3-pyridinyl]-4-methoxy-3-nitrobenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(-c3ccccc3F)nc2)cc1[N+](=O)[O-]
InChIInChI=1S/C19H14FN3O4/c1-27-18-9-6-12(10-17(18)23(25)26)19(24)22-13-7-8-16(21-11-13)14-4-2-3-5-15(14)20/h2-11H,1H3,(H,22,24)
InChIKeyNZAUYRGZGKGFHA-UHFFFAOYSA-N
XLogP4.06
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.34
LogP ≤ 54.06
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-[6-(2-fluorophenyl)-3-pyridinyl]-4-methoxy-3-nitrobenzamide?
The IUPAC name of N-[6-(2-fluorophenyl)-3-pyridinyl]-4-methoxy-3-nitrobenzamide (CID 90459222) is N-[6-(2-fluorophenyl)-3-pyridinyl]-4-methoxy-3-nitrobenzamide.
What is the SMILES notation for N-[6-(2-fluorophenyl)-3-pyridinyl]-4-methoxy-3-nitrobenzamide?
The canonical SMILES for N-[6-(2-fluorophenyl)-3-pyridinyl]-4-methoxy-3-nitrobenzamide is COc1ccc(C(=O)Nc2ccc(-c3ccccc3F)nc2)cc1[N+](=O)[O-].
What is the InChIKey of N-[6-(2-fluorophenyl)-3-pyridinyl]-4-methoxy-3-nitrobenzamide?
The InChIKey is NZAUYRGZGKGFHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3O4/c1-27-18-9-6-12(10-17(18)23(25)26)19(24)22-13-7-8-16(21-11-13)14-4-2-3-5-15(14)20/h2-11H,1H3,(H,22,24).
What are the key properties of N-[6-(2-fluorophenyl)-3-pyridinyl]-4-methoxy-3-nitrobenzamide?
N-[6-(2-fluorophenyl)-3-pyridinyl]-4-methoxy-3-nitrobenzamide has a molecular weight of 367.34 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-fluorophenyl)-3-pyridinyl]-4-methoxy-3-nitrobenzamide is sourced from PubChem (CID 90459222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).