3-nitro-N-(4-pyridin-3-yloxyphenyl)benzamide

C18H13N3O4 — CID 804425

IUPAC3-nitro-N-(4-pyridin-3-yloxyphenyl)benzamide
SMILESO=C(Nc1ccc(Oc2cccnc2)cc1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C18H13N3O4/c22-18(13-3-1-4-15(11-13)21(23)24)20-14-6-8-16(9-7-14)25-17-5-2-10-19-12-17/h1-12H,(H,20,22)
InChIKeyKMABZDZINDQXQD-UHFFFAOYSA-N
MW335.32 g/mol
LogP4.03
Rot. Bonds5

About 3-nitro-N-(4-pyridin-3-yloxyphenyl)benzamide

3-nitro-N-(4-pyridin-3-yloxyphenyl)benzamide (PubChem CID 804425) has the molecular formula C18H13N3O4 and a molecular weight of 335.32 g/mol. Its IUPAC name is 3-nitro-N-(4-pyridin-3-yloxyphenyl)benzamide.

Molecular Properties

Compound Name3-nitro-N-(4-pyridin-3-yloxyphenyl)benzamide
PubChem CID804425
Molecular FormulaC18H13N3O4
Molecular Weight335.32 g/mol
Exact Mass335.09
IUPAC Name3-nitro-N-(4-pyridin-3-yloxyphenyl)benzamide
SMILESO=C(Nc1ccc(Oc2cccnc2)cc1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C18H13N3O4/c22-18(13-3-1-4-15(11-13)21(23)24)20-14-6-8-16(9-7-14)25-17-5-2-10-19-12-17/h1-12H,(H,20,22)
InChIKeyKMABZDZINDQXQD-UHFFFAOYSA-N
XLogP4.03
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.32
LogP ≤ 54.03
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 3-nitro-N-(4-pyridin-3-yloxyphenyl)benzamide?
The IUPAC name of 3-nitro-N-(4-pyridin-3-yloxyphenyl)benzamide (CID 804425) is 3-nitro-N-(4-pyridin-3-yloxyphenyl)benzamide.
What is the SMILES notation for 3-nitro-N-(4-pyridin-3-yloxyphenyl)benzamide?
The canonical SMILES for 3-nitro-N-(4-pyridin-3-yloxyphenyl)benzamide is O=C(Nc1ccc(Oc2cccnc2)cc1)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 3-nitro-N-(4-pyridin-3-yloxyphenyl)benzamide?
The InChIKey is KMABZDZINDQXQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O4/c22-18(13-3-1-4-15(11-13)21(23)24)20-14-6-8-16(9-7-14)25-17-5-2-10-19-12-17/h1-12H,(H,20,22).
What are the key properties of 3-nitro-N-(4-pyridin-3-yloxyphenyl)benzamide?
3-nitro-N-(4-pyridin-3-yloxyphenyl)benzamide has a molecular weight of 335.32 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-N-(4-pyridin-3-yloxyphenyl)benzamide is sourced from PubChem (CID 804425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).