4-methoxy-3-nitro-N-(2-phenylethyl)benzamide

C16H16N2O4 — CID 823655

IUPAC4-methoxy-3-nitro-N-(2-phenylethyl)benzamide
SMILESCOc1ccc(C(=O)NCCc2ccccc2)cc1[N+](=O)[O-]
InChIInChI=1S/C16H16N2O4/c1-22-15-8-7-13(11-14(15)18(20)21)16(19)17-10-9-12-5-3-2-4-6-12/h2-8,11H,9-10H2,1H3,(H,17,19)
InChIKeyLAKKUADRGMIXHN-UHFFFAOYSA-N
MW300.31 g/mol
LogP2.58
Rot. Bonds6

About 4-methoxy-3-nitro-N-(2-phenylethyl)benzamide

4-methoxy-3-nitro-N-(2-phenylethyl)benzamide (PubChem CID 823655) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is 4-methoxy-3-nitro-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound Name4-methoxy-3-nitro-N-(2-phenylethyl)benzamide
PubChem CID823655
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Name4-methoxy-3-nitro-N-(2-phenylethyl)benzamide
SMILESCOc1ccc(C(=O)NCCc2ccccc2)cc1[N+](=O)[O-]
InChIInChI=1S/C16H16N2O4/c1-22-15-8-7-13(11-14(15)18(20)21)16(19)17-10-9-12-5-3-2-4-6-12/h2-8,11H,9-10H2,1H3,(H,17,19)
InChIKeyLAKKUADRGMIXHN-UHFFFAOYSA-N
XLogP2.58
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 52.58
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'}

Analyze 4-methoxy-3-nitro-N-(2-phenylethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-nitro-N-(2-phenylethyl)benzamide?
The IUPAC name of 4-methoxy-3-nitro-N-(2-phenylethyl)benzamide (CID 823655) is 4-methoxy-3-nitro-N-(2-phenylethyl)benzamide.
What is the SMILES notation for 4-methoxy-3-nitro-N-(2-phenylethyl)benzamide?
The canonical SMILES for 4-methoxy-3-nitro-N-(2-phenylethyl)benzamide is COc1ccc(C(=O)NCCc2ccccc2)cc1[N+](=O)[O-].
What is the InChIKey of 4-methoxy-3-nitro-N-(2-phenylethyl)benzamide?
The InChIKey is LAKKUADRGMIXHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4/c1-22-15-8-7-13(11-14(15)18(20)21)16(19)17-10-9-12-5-3-2-4-6-12/h2-8,11H,9-10H2,1H3,(H,17,19).
What are the key properties of 4-methoxy-3-nitro-N-(2-phenylethyl)benzamide?
4-methoxy-3-nitro-N-(2-phenylethyl)benzamide has a molecular weight of 300.31 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-nitro-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 823655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).