(2S)-N-(4-nitrophenyl)-2-phenoxypropanamide

C15H14N2O4 — CID 40543008

IUPAC(2S)-N-(4-nitrophenyl)-2-phenoxypropanamide
SMILESC[C@H](Oc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H14N2O4/c1-11(21-14-5-3-2-4-6-14)15(18)16-12-7-9-13(10-8-12)17(19)20/h2-11H,1H3,(H,16,18)/t11-/m0/s1
InChIKeyUZSLZEQAGCDBPI-NSHDSACASA-N
MW286.29 g/mol
LogP3.00
Rot. Bonds5

About (2S)-N-(4-nitrophenyl)-2-phenoxypropanamide

(2S)-N-(4-nitrophenyl)-2-phenoxypropanamide (PubChem CID 40543008) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is (2S)-N-(4-nitrophenyl)-2-phenoxypropanamide.

Molecular Properties

Compound Name(2S)-N-(4-nitrophenyl)-2-phenoxypropanamide
PubChem CID40543008
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC Name(2S)-N-(4-nitrophenyl)-2-phenoxypropanamide
SMILESC[C@H](Oc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H14N2O4/c1-11(21-14-5-3-2-4-6-14)15(18)16-12-7-9-13(10-8-12)17(19)20/h2-11H,1H3,(H,16,18)/t11-/m0/s1
InChIKeyUZSLZEQAGCDBPI-NSHDSACASA-N
XLogP3.00
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 53.00
H-Bond Donors ≤ 51
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'}

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Related Compounds

2-(4-nitrophenoxy)-N-(4-nitrophenyl)propanamide
CID 4951253
(2S)-N-(4-methylphenyl)-2-(4-nitrophenoxy)propanamide
CID 2632168
2-(4-nitrophenoxy)-N-[4-(3-phenylpropanoylamino)phenyl]propanamide
CID 17233582
(2R)-2-(4-cyanophenoxy)-N-(4-nitrophenyl)propanamide
CID 7832898
N-(4-acetamidophenyl)-2-phenoxypropanamide
CID 2897872
2-(4-nitrophenoxy)-N-(4-sulfamoylphenyl)propanamide
CID 4951220
N-benzyl-4-[2-(4-nitrophenoxy)propanoylamino]benzamide
CID 43887414
N-[4-(diethylamino)phenyl]-2-(4-nitrophenoxy)propanamide
CID 4951209
2-methyl-N-[4-[[(2S)-2-phenoxypropanoyl]amino]phenyl]propanamide
CID 40976571
2-methyl-N-[3-[2-(4-nitrophenoxy)propanoylamino]phenyl]propanamide
CID 17189238
(2R)-2-(2,6-dimethylphenoxy)-N-(4-nitrophenyl)propanamide
CID 9297382
N-(4-methylphenyl)-2-phenoxypropanamide
CID 4639701

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-nitrophenyl)-2-phenoxypropanamide?
The IUPAC name of (2S)-N-(4-nitrophenyl)-2-phenoxypropanamide (CID 40543008) is (2S)-N-(4-nitrophenyl)-2-phenoxypropanamide.
What is the SMILES notation for (2S)-N-(4-nitrophenyl)-2-phenoxypropanamide?
The canonical SMILES for (2S)-N-(4-nitrophenyl)-2-phenoxypropanamide is C[C@H](Oc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of (2S)-N-(4-nitrophenyl)-2-phenoxypropanamide?
The InChIKey is UZSLZEQAGCDBPI-NSHDSACASA-N. The full InChI is InChI=1S/C15H14N2O4/c1-11(21-14-5-3-2-4-6-14)15(18)16-12-7-9-13(10-8-12)17(19)20/h2-11H,1H3,(H,16,18)/t11-/m0/s1.
What are the key properties of (2S)-N-(4-nitrophenyl)-2-phenoxypropanamide?
(2S)-N-(4-nitrophenyl)-2-phenoxypropanamide has a molecular weight of 286.29 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-nitrophenyl)-2-phenoxypropanamide is sourced from PubChem (CID 40543008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).