N-(2-methoxy-5-nitrophenyl)-2-(2-phenylethyl)benzamide

C22H20N2O4 — CID 1189144

IUPACN-(2-methoxy-5-nitrophenyl)-2-(2-phenylethyl)benzamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)c1ccccc1CCc1ccccc1
InChIInChI=1S/C22H20N2O4/c1-28-21-14-13-18(24(26)27)15-20(21)23-22(25)19-10-6-5-9-17(19)12-11-16-7-3-2-4-8-16/h2-10,13-15H,11-12H2,1H3,(H,23,25)
InChIKeyCWEWSKLNNBTNSW-UHFFFAOYSA-N
MW376.41 g/mol
LogP4.64
Rot. Bonds7

About N-(2-methoxy-5-nitrophenyl)-2-(2-phenylethyl)benzamide

N-(2-methoxy-5-nitrophenyl)-2-(2-phenylethyl)benzamide (PubChem CID 1189144) has the molecular formula C22H20N2O4 and a molecular weight of 376.41 g/mol. Its IUPAC name is N-(2-methoxy-5-nitrophenyl)-2-(2-phenylethyl)benzamide.

Molecular Properties

Compound NameN-(2-methoxy-5-nitrophenyl)-2-(2-phenylethyl)benzamide
PubChem CID1189144
Molecular FormulaC22H20N2O4
Molecular Weight376.41 g/mol
Exact Mass376.14
IUPAC NameN-(2-methoxy-5-nitrophenyl)-2-(2-phenylethyl)benzamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)c1ccccc1CCc1ccccc1
InChIInChI=1S/C22H20N2O4/c1-28-21-14-13-18(24(26)27)15-20(21)23-22(25)19-10-6-5-9-17(19)12-11-16-7-3-2-4-8-16/h2-10,13-15H,11-12H2,1H3,(H,23,25)
InChIKeyCWEWSKLNNBTNSW-UHFFFAOYSA-N
XLogP4.64
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 54.64
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-(2-methoxy-5-nitrophenyl)-2-(2-phenylethyl)benzamide?
The IUPAC name of N-(2-methoxy-5-nitrophenyl)-2-(2-phenylethyl)benzamide (CID 1189144) is N-(2-methoxy-5-nitrophenyl)-2-(2-phenylethyl)benzamide.
What is the SMILES notation for N-(2-methoxy-5-nitrophenyl)-2-(2-phenylethyl)benzamide?
The canonical SMILES for N-(2-methoxy-5-nitrophenyl)-2-(2-phenylethyl)benzamide is COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccccc1CCc1ccccc1.
What is the InChIKey of N-(2-methoxy-5-nitrophenyl)-2-(2-phenylethyl)benzamide?
The InChIKey is CWEWSKLNNBTNSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O4/c1-28-21-14-13-18(24(26)27)15-20(21)23-22(25)19-10-6-5-9-17(19)12-11-16-7-3-2-4-8-16/h2-10,13-15H,11-12H2,1H3,(H,23,25).
What are the key properties of N-(2-methoxy-5-nitrophenyl)-2-(2-phenylethyl)benzamide?
N-(2-methoxy-5-nitrophenyl)-2-(2-phenylethyl)benzamide has a molecular weight of 376.41 g/mol, XLogP of 4.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-nitrophenyl)-2-(2-phenylethyl)benzamide is sourced from PubChem (CID 1189144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).