2-[(4-methoxy-3-nitrophenyl)methoxy]-N-pyridin-2-ylbenzamide

C20H17N3O5 — CID 1329077

IUPAC2-[(4-methoxy-3-nitrophenyl)methoxy]-N-pyridin-2-ylbenzamide
SMILESCOc1ccc(COc2ccccc2C(=O)Nc2ccccn2)cc1[N+](=O)[O-]
InChIInChI=1S/C20H17N3O5/c1-27-18-10-9-14(12-16(18)23(25)26)13-28-17-7-3-2-6-15(17)20(24)22-19-8-4-5-11-21-19/h2-12H,13H2,1H3,(H,21,22,24)
InChIKeyFQEIJLVONKLTMQ-UHFFFAOYSA-N
MW379.37 g/mol
LogP3.83
Rot. Bonds7

About 2-[(4-methoxy-3-nitrophenyl)methoxy]-N-pyridin-2-ylbenzamide

2-[(4-methoxy-3-nitrophenyl)methoxy]-N-pyridin-2-ylbenzamide (PubChem CID 1329077) has the molecular formula C20H17N3O5 and a molecular weight of 379.37 g/mol. Its IUPAC name is 2-[(4-methoxy-3-nitrophenyl)methoxy]-N-pyridin-2-ylbenzamide.

Molecular Properties

Compound Name2-[(4-methoxy-3-nitrophenyl)methoxy]-N-pyridin-2-ylbenzamide
PubChem CID1329077
Molecular FormulaC20H17N3O5
Molecular Weight379.37 g/mol
Exact Mass379.12
IUPAC Name2-[(4-methoxy-3-nitrophenyl)methoxy]-N-pyridin-2-ylbenzamide
SMILESCOc1ccc(COc2ccccc2C(=O)Nc2ccccn2)cc1[N+](=O)[O-]
InChIInChI=1S/C20H17N3O5/c1-27-18-10-9-14(12-16(18)23(25)26)13-28-17-7-3-2-6-15(17)20(24)22-19-8-4-5-11-21-19/h2-12H,13H2,1H3,(H,21,22,24)
InChIKeyFQEIJLVONKLTMQ-UHFFFAOYSA-N
XLogP3.83
TPSA103.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.37
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 2-[(4-methoxy-3-nitrophenyl)methoxy]-N-pyridin-2-ylbenzamide?
The IUPAC name of 2-[(4-methoxy-3-nitrophenyl)methoxy]-N-pyridin-2-ylbenzamide (CID 1329077) is 2-[(4-methoxy-3-nitrophenyl)methoxy]-N-pyridin-2-ylbenzamide.
What is the SMILES notation for 2-[(4-methoxy-3-nitrophenyl)methoxy]-N-pyridin-2-ylbenzamide?
The canonical SMILES for 2-[(4-methoxy-3-nitrophenyl)methoxy]-N-pyridin-2-ylbenzamide is COc1ccc(COc2ccccc2C(=O)Nc2ccccn2)cc1[N+](=O)[O-].
What is the InChIKey of 2-[(4-methoxy-3-nitrophenyl)methoxy]-N-pyridin-2-ylbenzamide?
The InChIKey is FQEIJLVONKLTMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O5/c1-27-18-10-9-14(12-16(18)23(25)26)13-28-17-7-3-2-6-15(17)20(24)22-19-8-4-5-11-21-19/h2-12H,13H2,1H3,(H,21,22,24).
What are the key properties of 2-[(4-methoxy-3-nitrophenyl)methoxy]-N-pyridin-2-ylbenzamide?
2-[(4-methoxy-3-nitrophenyl)methoxy]-N-pyridin-2-ylbenzamide has a molecular weight of 379.37 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxy-3-nitrophenyl)methoxy]-N-pyridin-2-ylbenzamide is sourced from PubChem (CID 1329077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).