N-(3-nitrophenyl)-2-phenylacetamide

C14H12N2O3 — CID 531991

IUPACN-(3-nitrophenyl)-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C14H12N2O3/c17-14(9-11-5-2-1-3-6-11)15-12-7-4-8-13(10-12)16(18)19/h1-8,10H,9H2,(H,15,17)
InChIKeyNMZIQRANVSSSFS-UHFFFAOYSA-N
MW256.26 g/mol
LogP2.78
Rot. Bonds4

About N-(3-nitrophenyl)-2-phenylacetamide

N-(3-nitrophenyl)-2-phenylacetamide (PubChem CID 531991) has the molecular formula C14H12N2O3 and a molecular weight of 256.26 g/mol. Its IUPAC name is N-(3-nitrophenyl)-2-phenylacetamide.

Molecular Properties

Compound NameN-(3-nitrophenyl)-2-phenylacetamide
PubChem CID531991
Molecular FormulaC14H12N2O3
Molecular Weight256.26 g/mol
Exact Mass256.08
IUPAC NameN-(3-nitrophenyl)-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C14H12N2O3/c17-14(9-11-5-2-1-3-6-11)15-12-7-4-8-13(10-12)16(18)19/h1-8,10H,9H2,(H,15,17)
InChIKeyNMZIQRANVSSSFS-UHFFFAOYSA-N
XLogP2.78
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(3-nitrophenyl)-2-phenylacetamide?
The IUPAC name of N-(3-nitrophenyl)-2-phenylacetamide (CID 531991) is N-(3-nitrophenyl)-2-phenylacetamide.
What is the SMILES notation for N-(3-nitrophenyl)-2-phenylacetamide?
The canonical SMILES for N-(3-nitrophenyl)-2-phenylacetamide is O=C(Cc1ccccc1)Nc1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-(3-nitrophenyl)-2-phenylacetamide?
The InChIKey is NMZIQRANVSSSFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3/c17-14(9-11-5-2-1-3-6-11)15-12-7-4-8-13(10-12)16(18)19/h1-8,10H,9H2,(H,15,17).
What are the key properties of N-(3-nitrophenyl)-2-phenylacetamide?
N-(3-nitrophenyl)-2-phenylacetamide has a molecular weight of 256.26 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-nitrophenyl)-2-phenylacetamide is sourced from PubChem (CID 531991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).