4-(4-fluorophenoxy)-3-nitro-N-(pyridin-2-ylmethyl)benzamide

C19H14FN3O4 — CID 129076294

IUPAC4-(4-fluorophenoxy)-3-nitro-N-(pyridin-2-ylmethyl)benzamide
SMILESO=C(NCc1ccccn1)c1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1
InChIInChI=1S/C19H14FN3O4/c20-14-5-7-16(8-6-14)27-18-9-4-13(11-17(18)23(25)26)19(24)22-12-15-3-1-2-10-21-15/h1-11H,12H2,(H,22,24)
InChIKeyYODYZAFSNFBBNJ-UHFFFAOYSA-N
MW367.34 g/mol
LogP3.85
Rot. Bonds6

About 4-(4-fluorophenoxy)-3-nitro-N-(pyridin-2-ylmethyl)benzamide

4-(4-fluorophenoxy)-3-nitro-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 129076294) has the molecular formula C19H14FN3O4 and a molecular weight of 367.34 g/mol. Its IUPAC name is 4-(4-fluorophenoxy)-3-nitro-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-(4-fluorophenoxy)-3-nitro-N-(pyridin-2-ylmethyl)benzamide
PubChem CID129076294
Molecular FormulaC19H14FN3O4
Molecular Weight367.34 g/mol
Exact Mass367.10
IUPAC Name4-(4-fluorophenoxy)-3-nitro-N-(pyridin-2-ylmethyl)benzamide
SMILESO=C(NCc1ccccn1)c1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1
InChIInChI=1S/C19H14FN3O4/c20-14-5-7-16(8-6-14)27-18-9-4-13(11-17(18)23(25)26)19(24)22-12-15-3-1-2-10-21-15/h1-11H,12H2,(H,22,24)
InChIKeyYODYZAFSNFBBNJ-UHFFFAOYSA-N
XLogP3.85
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.34
LogP ≤ 53.85
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 4-(4-fluorophenoxy)-3-nitro-N-(pyridin-2-ylmethyl)benzamide?
The IUPAC name of 4-(4-fluorophenoxy)-3-nitro-N-(pyridin-2-ylmethyl)benzamide (CID 129076294) is 4-(4-fluorophenoxy)-3-nitro-N-(pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for 4-(4-fluorophenoxy)-3-nitro-N-(pyridin-2-ylmethyl)benzamide?
The canonical SMILES for 4-(4-fluorophenoxy)-3-nitro-N-(pyridin-2-ylmethyl)benzamide is O=C(NCc1ccccn1)c1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1.
What is the InChIKey of 4-(4-fluorophenoxy)-3-nitro-N-(pyridin-2-ylmethyl)benzamide?
The InChIKey is YODYZAFSNFBBNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3O4/c20-14-5-7-16(8-6-14)27-18-9-4-13(11-17(18)23(25)26)19(24)22-12-15-3-1-2-10-21-15/h1-11H,12H2,(H,22,24).
What are the key properties of 4-(4-fluorophenoxy)-3-nitro-N-(pyridin-2-ylmethyl)benzamide?
4-(4-fluorophenoxy)-3-nitro-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 367.34 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenoxy)-3-nitro-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 129076294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).