N-[(4-methylphenyl)methoxy]-3-nitrobenzamide

C15H14N2O4 — CID 4867929

IUPACN-[(4-methylphenyl)methoxy]-3-nitrobenzamide
SMILESCc1ccc(CONC(=O)c2cccc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C15H14N2O4/c1-11-5-7-12(8-6-11)10-21-16-15(18)13-3-2-4-14(9-13)17(19)20/h2-9H,10H2,1H3,(H,16,18)
InChIKeyGQXVTGJGLALVMJ-UHFFFAOYSA-N
MW286.29 g/mol
LogP2.76
Rot. Bonds5

About N-[(4-methylphenyl)methoxy]-3-nitrobenzamide

N-[(4-methylphenyl)methoxy]-3-nitrobenzamide (PubChem CID 4867929) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is N-[(4-methylphenyl)methoxy]-3-nitrobenzamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methoxy]-3-nitrobenzamide
PubChem CID4867929
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC NameN-[(4-methylphenyl)methoxy]-3-nitrobenzamide
SMILESCc1ccc(CONC(=O)c2cccc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C15H14N2O4/c1-11-5-7-12(8-6-11)10-21-16-15(18)13-3-2-4-14(9-13)17(19)20/h2-9H,10H2,1H3,(H,16,18)
InChIKeyGQXVTGJGLALVMJ-UHFFFAOYSA-N
XLogP2.76
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[(4-methylphenyl)methoxy]-3-nitrobenzamide?
The IUPAC name of N-[(4-methylphenyl)methoxy]-3-nitrobenzamide (CID 4867929) is N-[(4-methylphenyl)methoxy]-3-nitrobenzamide.
What is the SMILES notation for N-[(4-methylphenyl)methoxy]-3-nitrobenzamide?
The canonical SMILES for N-[(4-methylphenyl)methoxy]-3-nitrobenzamide is Cc1ccc(CONC(=O)c2cccc([N+](=O)[O-])c2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methoxy]-3-nitrobenzamide?
The InChIKey is GQXVTGJGLALVMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c1-11-5-7-12(8-6-11)10-21-16-15(18)13-3-2-4-14(9-13)17(19)20/h2-9H,10H2,1H3,(H,16,18).
What are the key properties of N-[(4-methylphenyl)methoxy]-3-nitrobenzamide?
N-[(4-methylphenyl)methoxy]-3-nitrobenzamide has a molecular weight of 286.29 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methoxy]-3-nitrobenzamide is sourced from PubChem (CID 4867929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).