N-(2-hydroxy-4-nitrophenyl)-3-phenylpropanamide

C15H14N2O4 — CID 3566632

IUPACN-(2-hydroxy-4-nitrophenyl)-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1ccc([N+](=O)[O-])cc1O
InChIInChI=1S/C15H14N2O4/c18-14-10-12(17(20)21)7-8-13(14)16-15(19)9-6-11-4-2-1-3-5-11/h1-5,7-8,10,18H,6,9H2,(H,16,19)
InChIKeyXQLWZVRZCVCUGU-UHFFFAOYSA-N
MW286.29 g/mol
LogP2.87
Rot. Bonds5

About N-(2-hydroxy-4-nitrophenyl)-3-phenylpropanamide

N-(2-hydroxy-4-nitrophenyl)-3-phenylpropanamide (PubChem CID 3566632) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is N-(2-hydroxy-4-nitrophenyl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-(2-hydroxy-4-nitrophenyl)-3-phenylpropanamide
PubChem CID3566632
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC NameN-(2-hydroxy-4-nitrophenyl)-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1ccc([N+](=O)[O-])cc1O
InChIInChI=1S/C15H14N2O4/c18-14-10-12(17(20)21)7-8-13(14)16-15(19)9-6-11-4-2-1-3-5-11/h1-5,7-8,10,18H,6,9H2,(H,16,19)
InChIKeyXQLWZVRZCVCUGU-UHFFFAOYSA-N
XLogP2.87
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}, {'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-hydroxy-4-nitrophenyl)-3-phenylpropanamide?
The IUPAC name of N-(2-hydroxy-4-nitrophenyl)-3-phenylpropanamide (CID 3566632) is N-(2-hydroxy-4-nitrophenyl)-3-phenylpropanamide.
What is the SMILES notation for N-(2-hydroxy-4-nitrophenyl)-3-phenylpropanamide?
The canonical SMILES for N-(2-hydroxy-4-nitrophenyl)-3-phenylpropanamide is O=C(CCc1ccccc1)Nc1ccc([N+](=O)[O-])cc1O.
What is the InChIKey of N-(2-hydroxy-4-nitrophenyl)-3-phenylpropanamide?
The InChIKey is XQLWZVRZCVCUGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c18-14-10-12(17(20)21)7-8-13(14)16-15(19)9-6-11-4-2-1-3-5-11/h1-5,7-8,10,18H,6,9H2,(H,16,19).
What are the key properties of N-(2-hydroxy-4-nitrophenyl)-3-phenylpropanamide?
N-(2-hydroxy-4-nitrophenyl)-3-phenylpropanamide has a molecular weight of 286.29 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-4-nitrophenyl)-3-phenylpropanamide is sourced from PubChem (CID 3566632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).