N-(2-amino-2-phenylethyl)-2-nitrobenzamide

C15H15N3O3 — CID 63120393

IUPACN-(2-amino-2-phenylethyl)-2-nitrobenzamide
SMILESNC(CNC(=O)c1ccccc1[N+](=O)[O-])c1ccccc1
InChIInChI=1S/C15H15N3O3/c16-13(11-6-2-1-3-7-11)10-17-15(19)12-8-4-5-9-14(12)18(20)21/h1-9,13H,10,16H2,(H,17,19)
InChIKeyJAHBYXWPHOVSPB-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.02
Rot. Bonds5

About N-(2-amino-2-phenylethyl)-2-nitrobenzamide

N-(2-amino-2-phenylethyl)-2-nitrobenzamide (PubChem CID 63120393) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is N-(2-amino-2-phenylethyl)-2-nitrobenzamide.

Molecular Properties

Compound NameN-(2-amino-2-phenylethyl)-2-nitrobenzamide
PubChem CID63120393
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC NameN-(2-amino-2-phenylethyl)-2-nitrobenzamide
SMILESNC(CNC(=O)c1ccccc1[N+](=O)[O-])c1ccccc1
InChIInChI=1S/C15H15N3O3/c16-13(11-6-2-1-3-7-11)10-17-15(19)12-8-4-5-9-14(12)18(20)21/h1-9,13H,10,16H2,(H,17,19)
InChIKeyJAHBYXWPHOVSPB-UHFFFAOYSA-N
XLogP2.02
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.02
H-Bond Donors ≤ 52
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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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-phenylethyl)-2-nitrobenzamide?
The IUPAC name of N-(2-amino-2-phenylethyl)-2-nitrobenzamide (CID 63120393) is N-(2-amino-2-phenylethyl)-2-nitrobenzamide.
What is the SMILES notation for N-(2-amino-2-phenylethyl)-2-nitrobenzamide?
The canonical SMILES for N-(2-amino-2-phenylethyl)-2-nitrobenzamide is NC(CNC(=O)c1ccccc1[N+](=O)[O-])c1ccccc1.
What is the InChIKey of N-(2-amino-2-phenylethyl)-2-nitrobenzamide?
The InChIKey is JAHBYXWPHOVSPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c16-13(11-6-2-1-3-7-11)10-17-15(19)12-8-4-5-9-14(12)18(20)21/h1-9,13H,10,16H2,(H,17,19).
What are the key properties of N-(2-amino-2-phenylethyl)-2-nitrobenzamide?
N-(2-amino-2-phenylethyl)-2-nitrobenzamide has a molecular weight of 285.30 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-phenylethyl)-2-nitrobenzamide is sourced from PubChem (CID 63120393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).