2-hydroxy-N-[(4-nitrophenyl)methyl]-2-phenylacetamide

C15H14N2O4 — CID 110900157

IUPAC2-hydroxy-N-[(4-nitrophenyl)methyl]-2-phenylacetamide
SMILESO=C(NCc1ccc([N+](=O)[O-])cc1)C(O)c1ccccc1
InChIInChI=1S/C15H14N2O4/c18-14(12-4-2-1-3-5-12)15(19)16-10-11-6-8-13(9-7-11)17(20)21/h1-9,14,18H,10H2,(H,16,19)
InChIKeyOKDKICUQYKDCGA-UHFFFAOYSA-N
MW286.29 g/mol
LogP1.94
Rot. Bonds5

About 2-hydroxy-N-[(4-nitrophenyl)methyl]-2-phenylacetamide

2-hydroxy-N-[(4-nitrophenyl)methyl]-2-phenylacetamide (PubChem CID 110900157) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is 2-hydroxy-N-[(4-nitrophenyl)methyl]-2-phenylacetamide.

Molecular Properties

Compound Name2-hydroxy-N-[(4-nitrophenyl)methyl]-2-phenylacetamide
PubChem CID110900157
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC Name2-hydroxy-N-[(4-nitrophenyl)methyl]-2-phenylacetamide
SMILESO=C(NCc1ccc([N+](=O)[O-])cc1)C(O)c1ccccc1
InChIInChI=1S/C15H14N2O4/c18-14(12-4-2-1-3-5-12)15(19)16-10-11-6-8-13(9-7-11)17(20)21/h1-9,14,18H,10H2,(H,16,19)
InChIKeyOKDKICUQYKDCGA-UHFFFAOYSA-N
XLogP1.94
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 ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-hydroxy-N-[(4-nitrophenyl)methyl]-2-phenylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-hydroxy-N-[2-(4-nitrophenyl)ethyl]-2-phenylacetamide
CID 124504784
2-hydroxy-2-phenyl-N-(pyridin-4-ylmethyl)acetamide
CID 82130126
N-[[4-(dimethylamino)phenyl]methyl]-2-hydroxy-2-phenylacetamide
CID 110879983
N-[[4-(diethylaminomethyl)phenyl]methyl]-2-hydroxy-2-phenylacetamide
CID 110879994
2-[(4-nitrophenyl)methylamino]-N,2-diphenylacetamide
CID 60542252
(2S)-N-[(4-chlorophenyl)methyl]-2-(4-nitrophenyl)propanamide
CID 966357
2-amino-N-[2-(4-nitrophenyl)ethyl]-2-phenylacetamide
CID 174361178
1-[(4-nitrophenyl)methyl]-3-phenylthiourea
CID 135077106
(2S,3R)-N-benzyl-2,3-dihydroxy-3-phenylpropanamide
CID 71048663
[1-(benzylamino)-1-oxopropan-2-yl] 2-(4-nitrophenyl)sulfanylpropanoate
CID 55357258
(2R)-2-acetamido-3-hydroxy-N-[(4-nitrophenyl)methyl]propanamide
CID 11822044
N-[(3-cyanophenyl)methyl]-2-hydroxy-2-phenylacetamide
CID 103716734

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[(4-nitrophenyl)methyl]-2-phenylacetamide?
The IUPAC name of 2-hydroxy-N-[(4-nitrophenyl)methyl]-2-phenylacetamide (CID 110900157) is 2-hydroxy-N-[(4-nitrophenyl)methyl]-2-phenylacetamide.
What is the SMILES notation for 2-hydroxy-N-[(4-nitrophenyl)methyl]-2-phenylacetamide?
The canonical SMILES for 2-hydroxy-N-[(4-nitrophenyl)methyl]-2-phenylacetamide is O=C(NCc1ccc([N+](=O)[O-])cc1)C(O)c1ccccc1.
What is the InChIKey of 2-hydroxy-N-[(4-nitrophenyl)methyl]-2-phenylacetamide?
The InChIKey is OKDKICUQYKDCGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c18-14(12-4-2-1-3-5-12)15(19)16-10-11-6-8-13(9-7-11)17(20)21/h1-9,14,18H,10H2,(H,16,19).
What are the key properties of 2-hydroxy-N-[(4-nitrophenyl)methyl]-2-phenylacetamide?
2-hydroxy-N-[(4-nitrophenyl)methyl]-2-phenylacetamide has a molecular weight of 286.29 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[(4-nitrophenyl)methyl]-2-phenylacetamide is sourced from PubChem (CID 110900157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).