N-(2-nitrophenyl)-3-phenylpropanamide

C15H14N2O3 — CID 2790153

IUPACN-(2-nitrophenyl)-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C15H14N2O3/c18-15(11-10-12-6-2-1-3-7-12)16-13-8-4-5-9-14(13)17(19)20/h1-9H,10-11H2,(H,16,18)
InChIKeyPKZADCQYMPQYHD-UHFFFAOYSA-N
MW270.29 g/mol
LogP3.17
Rot. Bonds5

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

N-(2-nitrophenyl)-3-phenylpropanamide (PubChem CID 2790153) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is N-(2-nitrophenyl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-(2-nitrophenyl)-3-phenylpropanamide
PubChem CID2790153
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC NameN-(2-nitrophenyl)-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C15H14N2O3/c18-15(11-10-12-6-2-1-3-7-12)16-13-8-4-5-9-14(13)17(19)20/h1-9H,10-11H2,(H,16,18)
InChIKeyPKZADCQYMPQYHD-UHFFFAOYSA-N
XLogP3.17
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 53.17
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-(2-nitrophenyl)-3-phenylpropanamide?
The IUPAC name of N-(2-nitrophenyl)-3-phenylpropanamide (CID 2790153) is N-(2-nitrophenyl)-3-phenylpropanamide.
What is the SMILES notation for N-(2-nitrophenyl)-3-phenylpropanamide?
The canonical SMILES for N-(2-nitrophenyl)-3-phenylpropanamide is O=C(CCc1ccccc1)Nc1ccccc1[N+](=O)[O-].
What is the InChIKey of N-(2-nitrophenyl)-3-phenylpropanamide?
The InChIKey is PKZADCQYMPQYHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c18-15(11-10-12-6-2-1-3-7-12)16-13-8-4-5-9-14(13)17(19)20/h1-9H,10-11H2,(H,16,18).
What are the key properties of N-(2-nitrophenyl)-3-phenylpropanamide?
N-(2-nitrophenyl)-3-phenylpropanamide has a molecular weight of 270.29 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-nitrophenyl)-3-phenylpropanamide is sourced from PubChem (CID 2790153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).