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

C14H12N2O4 — CID 11849509

IUPACN-(4-hydroxy-3-nitrophenyl)-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1ccc(O)c([N+](=O)[O-])c1
InChIInChI=1S/C14H12N2O4/c17-13-7-6-11(9-12(13)16(19)20)15-14(18)8-10-4-2-1-3-5-10/h1-7,9,17H,8H2,(H,15,18)
InChIKeyGNFYEPGHYOUAJF-UHFFFAOYSA-N
MW272.26 g/mol
LogP2.48
Rot. Bonds4

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

N-(4-hydroxy-3-nitrophenyl)-2-phenylacetamide (PubChem CID 11849509) has the molecular formula C14H12N2O4 and a molecular weight of 272.26 g/mol. Its IUPAC name is N-(4-hydroxy-3-nitrophenyl)-2-phenylacetamide.

Molecular Properties

Compound NameN-(4-hydroxy-3-nitrophenyl)-2-phenylacetamide
PubChem CID11849509
Molecular FormulaC14H12N2O4
Molecular Weight272.26 g/mol
Exact Mass272.08
IUPAC NameN-(4-hydroxy-3-nitrophenyl)-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1ccc(O)c([N+](=O)[O-])c1
InChIInChI=1S/C14H12N2O4/c17-13-7-6-11(9-12(13)16(19)20)15-14(18)8-10-4-2-1-3-5-10/h1-7,9,17H,8H2,(H,15,18)
InChIKeyGNFYEPGHYOUAJF-UHFFFAOYSA-N
XLogP2.48
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', '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-(4-hydroxy-3-nitrophenyl)-2-phenylacetamide?
The IUPAC name of N-(4-hydroxy-3-nitrophenyl)-2-phenylacetamide (CID 11849509) is N-(4-hydroxy-3-nitrophenyl)-2-phenylacetamide.
What is the SMILES notation for N-(4-hydroxy-3-nitrophenyl)-2-phenylacetamide?
The canonical SMILES for N-(4-hydroxy-3-nitrophenyl)-2-phenylacetamide is O=C(Cc1ccccc1)Nc1ccc(O)c([N+](=O)[O-])c1.
What is the InChIKey of N-(4-hydroxy-3-nitrophenyl)-2-phenylacetamide?
The InChIKey is GNFYEPGHYOUAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O4/c17-13-7-6-11(9-12(13)16(19)20)15-14(18)8-10-4-2-1-3-5-10/h1-7,9,17H,8H2,(H,15,18).
What are the key properties of N-(4-hydroxy-3-nitrophenyl)-2-phenylacetamide?
N-(4-hydroxy-3-nitrophenyl)-2-phenylacetamide has a molecular weight of 272.26 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-3-nitrophenyl)-2-phenylacetamide is sourced from PubChem (CID 11849509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).