4-(4-nitrophenoxy)-N-(pyridin-4-ylmethyl)benzamide

C19H15N3O4 — CID 56670032

IUPAC4-(4-nitrophenoxy)-N-(pyridin-4-ylmethyl)benzamide
SMILESO=C(NCc1ccncc1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C19H15N3O4/c23-19(21-13-14-9-11-20-12-10-14)15-1-5-17(6-2-15)26-18-7-3-16(4-8-18)22(24)25/h1-12H,13H2,(H,21,23)
InChIKeyVMLFXCWYXVKOOC-UHFFFAOYSA-N
MW349.35 g/mol
LogP3.71
Rot. Bonds6

About 4-(4-nitrophenoxy)-N-(pyridin-4-ylmethyl)benzamide

4-(4-nitrophenoxy)-N-(pyridin-4-ylmethyl)benzamide (PubChem CID 56670032) has the molecular formula C19H15N3O4 and a molecular weight of 349.35 g/mol. Its IUPAC name is 4-(4-nitrophenoxy)-N-(pyridin-4-ylmethyl)benzamide.

Molecular Properties

Compound Name4-(4-nitrophenoxy)-N-(pyridin-4-ylmethyl)benzamide
PubChem CID56670032
Molecular FormulaC19H15N3O4
Molecular Weight349.35 g/mol
Exact Mass349.11
IUPAC Name4-(4-nitrophenoxy)-N-(pyridin-4-ylmethyl)benzamide
SMILESO=C(NCc1ccncc1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C19H15N3O4/c23-19(21-13-14-9-11-20-12-10-14)15-1-5-17(6-2-15)26-18-7-3-16(4-8-18)22(24)25/h1-12H,13H2,(H,21,23)
InChIKeyVMLFXCWYXVKOOC-UHFFFAOYSA-N
XLogP3.71
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 53.71
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-nitrophenoxy)-N-(pyridin-4-ylmethyl)benzamide?
The IUPAC name of 4-(4-nitrophenoxy)-N-(pyridin-4-ylmethyl)benzamide (CID 56670032) is 4-(4-nitrophenoxy)-N-(pyridin-4-ylmethyl)benzamide.
What is the SMILES notation for 4-(4-nitrophenoxy)-N-(pyridin-4-ylmethyl)benzamide?
The canonical SMILES for 4-(4-nitrophenoxy)-N-(pyridin-4-ylmethyl)benzamide is O=C(NCc1ccncc1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of 4-(4-nitrophenoxy)-N-(pyridin-4-ylmethyl)benzamide?
The InChIKey is VMLFXCWYXVKOOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O4/c23-19(21-13-14-9-11-20-12-10-14)15-1-5-17(6-2-15)26-18-7-3-16(4-8-18)22(24)25/h1-12H,13H2,(H,21,23).
What are the key properties of 4-(4-nitrophenoxy)-N-(pyridin-4-ylmethyl)benzamide?
4-(4-nitrophenoxy)-N-(pyridin-4-ylmethyl)benzamide has a molecular weight of 349.35 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-nitrophenoxy)-N-(pyridin-4-ylmethyl)benzamide is sourced from PubChem (CID 56670032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).