N-(2-hydroxy-4-nitrophenyl)-2-(3-methylphenyl)acetamide

C15H14N2O4 — CID 107745566

IUPACN-(2-hydroxy-4-nitrophenyl)-2-(3-methylphenyl)acetamide
SMILESCc1cccc(CC(=O)Nc2ccc([N+](=O)[O-])cc2O)c1
InChIInChI=1S/C15H14N2O4/c1-10-3-2-4-11(7-10)8-15(19)16-13-6-5-12(17(20)21)9-14(13)18/h2-7,9,18H,8H2,1H3,(H,16,19)
InChIKeyVOTLSAJNSIHVBM-UHFFFAOYSA-N
MW286.29 g/mol
LogP2.79
Rot. Bonds4

About N-(2-hydroxy-4-nitrophenyl)-2-(3-methylphenyl)acetamide

N-(2-hydroxy-4-nitrophenyl)-2-(3-methylphenyl)acetamide (PubChem CID 107745566) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is N-(2-hydroxy-4-nitrophenyl)-2-(3-methylphenyl)acetamide.

Molecular Properties

Compound NameN-(2-hydroxy-4-nitrophenyl)-2-(3-methylphenyl)acetamide
PubChem CID107745566
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC NameN-(2-hydroxy-4-nitrophenyl)-2-(3-methylphenyl)acetamide
SMILESCc1cccc(CC(=O)Nc2ccc([N+](=O)[O-])cc2O)c1
InChIInChI=1S/C15H14N2O4/c1-10-3-2-4-11(7-10)8-15(19)16-13-6-5-12(17(20)21)9-14(13)18/h2-7,9,18H,8H2,1H3,(H,16,19)
InChIKeyVOTLSAJNSIHVBM-UHFFFAOYSA-N
XLogP2.79
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 52.79
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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Related Compounds

N-(2-hydroxy-5-nitrophenyl)-2-(3-methylphenyl)acetamide
CID 103863285
N-(2-hydroxy-4-nitrophenyl)-2-(4-hydroxyphenyl)acetamide
CID 107745071
N-(2-bromo-4-methylphenyl)-2-(3-nitrophenyl)acetamide
CID 115648809
2-(3-bromophenyl)-N-(2-hydroxy-5-nitrophenyl)acetamide
CID 103894337
1-(2-ethylphenyl)-3-(2-hydroxy-4-nitrophenyl)urea
CID 21184795
N-(2-hydroxy-4-methylphenyl)-2-[(4-nitrophenyl)methylsulfanyl]acetamide
CID 9349754
N-(2-hydroxy-4-methylphenyl)-3-(3-methylphenyl)propanamide
CID 47128848
N-(2-chloro-4-methylphenyl)-2-(4-nitrophenyl)acetamide
CID 26264303
N-(2-hydroxy-4-nitrophenyl)-2-[(5Z)-5-[(3-methylphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
CID 27425085
3-(chloromethyl)-N-(2-hydroxy-4-nitrophenyl)benzamide
CID 107743838
N-(6-methoxy-2-methyl-3-pyridinyl)-2-(3-nitrophenyl)acetamide
CID 71919211
N-(2,5-dimethyl-4-pyridinyl)-2-(3-nitrophenyl)acetamide
CID 71912285

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-4-nitrophenyl)-2-(3-methylphenyl)acetamide?
The IUPAC name of N-(2-hydroxy-4-nitrophenyl)-2-(3-methylphenyl)acetamide (CID 107745566) is N-(2-hydroxy-4-nitrophenyl)-2-(3-methylphenyl)acetamide.
What is the SMILES notation for N-(2-hydroxy-4-nitrophenyl)-2-(3-methylphenyl)acetamide?
The canonical SMILES for N-(2-hydroxy-4-nitrophenyl)-2-(3-methylphenyl)acetamide is Cc1cccc(CC(=O)Nc2ccc([N+](=O)[O-])cc2O)c1.
What is the InChIKey of N-(2-hydroxy-4-nitrophenyl)-2-(3-methylphenyl)acetamide?
The InChIKey is VOTLSAJNSIHVBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c1-10-3-2-4-11(7-10)8-15(19)16-13-6-5-12(17(20)21)9-14(13)18/h2-7,9,18H,8H2,1H3,(H,16,19).
What are the key properties of N-(2-hydroxy-4-nitrophenyl)-2-(3-methylphenyl)acetamide?
N-(2-hydroxy-4-nitrophenyl)-2-(3-methylphenyl)acetamide has a molecular weight of 286.29 g/mol, XLogP of 2.79, 4 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)-2-(3-methylphenyl)acetamide is sourced from PubChem (CID 107745566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).