3-nitro-4-(2-phenylethylamino)benzamide

C15H15N3O3 — CID 2959722

IUPAC3-nitro-4-(2-phenylethylamino)benzamide
SMILESNC(=O)c1ccc(NCCc2ccccc2)c([N+](=O)[O-])c1
InChIInChI=1S/C15H15N3O3/c16-15(19)12-6-7-13(14(10-12)18(20)21)17-9-8-11-4-2-1-3-5-11/h1-7,10,17H,8-9H2,(H2,16,19)
InChIKeyFFEPHEJMIVWUQF-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.35
Rot. Bonds6

About 3-nitro-4-(2-phenylethylamino)benzamide

3-nitro-4-(2-phenylethylamino)benzamide (PubChem CID 2959722) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 3-nitro-4-(2-phenylethylamino)benzamide.

Molecular Properties

Compound Name3-nitro-4-(2-phenylethylamino)benzamide
PubChem CID2959722
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name3-nitro-4-(2-phenylethylamino)benzamide
SMILESNC(=O)c1ccc(NCCc2ccccc2)c([N+](=O)[O-])c1
InChIInChI=1S/C15H15N3O3/c16-15(19)12-6-7-13(14(10-12)18(20)21)17-9-8-11-4-2-1-3-5-11/h1-7,10,17H,8-9H2,(H2,16,19)
InChIKeyFFEPHEJMIVWUQF-UHFFFAOYSA-N
XLogP2.35
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.35
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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Frequently Asked Questions

What is the IUPAC name of 3-nitro-4-(2-phenylethylamino)benzamide?
The IUPAC name of 3-nitro-4-(2-phenylethylamino)benzamide (CID 2959722) is 3-nitro-4-(2-phenylethylamino)benzamide.
What is the SMILES notation for 3-nitro-4-(2-phenylethylamino)benzamide?
The canonical SMILES for 3-nitro-4-(2-phenylethylamino)benzamide is NC(=O)c1ccc(NCCc2ccccc2)c([N+](=O)[O-])c1.
What is the InChIKey of 3-nitro-4-(2-phenylethylamino)benzamide?
The InChIKey is FFEPHEJMIVWUQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c16-15(19)12-6-7-13(14(10-12)18(20)21)17-9-8-11-4-2-1-3-5-11/h1-7,10,17H,8-9H2,(H2,16,19).
What are the key properties of 3-nitro-4-(2-phenylethylamino)benzamide?
3-nitro-4-(2-phenylethylamino)benzamide has a molecular weight of 285.30 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-4-(2-phenylethylamino)benzamide is sourced from PubChem (CID 2959722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).