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

C15H13ClN2O4 — CID 7453838

IUPAC(2S)-N-(4-chloro-2-nitrophenyl)-2-phenoxypropanamide
SMILESC[C@H](Oc1ccccc1)C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C15H13ClN2O4/c1-10(22-12-5-3-2-4-6-12)15(19)17-13-8-7-11(16)9-14(13)18(20)21/h2-10H,1H3,(H,17,19)/t10-/m0/s1
InChIKeyYUBPICZDBQJRIU-JTQLQIEISA-N
MW320.73 g/mol
LogP3.65
Rot. Bonds5

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

(2S)-N-(4-chloro-2-nitrophenyl)-2-phenoxypropanamide (PubChem CID 7453838) has the molecular formula C15H13ClN2O4 and a molecular weight of 320.73 g/mol. Its IUPAC name is (2S)-N-(4-chloro-2-nitrophenyl)-2-phenoxypropanamide.

Molecular Properties

Compound Name(2S)-N-(4-chloro-2-nitrophenyl)-2-phenoxypropanamide
PubChem CID7453838
Molecular FormulaC15H13ClN2O4
Molecular Weight320.73 g/mol
Exact Mass320.06
IUPAC Name(2S)-N-(4-chloro-2-nitrophenyl)-2-phenoxypropanamide
SMILESC[C@H](Oc1ccccc1)C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C15H13ClN2O4/c1-10(22-12-5-3-2-4-6-12)15(19)17-13-8-7-11(16)9-14(13)18(20)21/h2-10H,1H3,(H,17,19)/t10-/m0/s1
InChIKeyYUBPICZDBQJRIU-JTQLQIEISA-N
XLogP3.65
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.73
LogP ≤ 53.65
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'}

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

N-(4-ethoxy-2-nitrophenyl)-2-(4-phenoxyphenoxy)propanamide
CID 18837892
(2R)-N-(2,5-dichlorophenyl)-2-phenoxypropanamide
CID 7723452
(2S)-N-(2-nitrophenyl)-2-(4-phenylphenoxy)propanamide
CID 7212772
2-(2,4-dichlorophenoxy)-N-(2,4-dinitrophenyl)propanamide
CID 5226893
(2S)-N-(4-chloro-2-fluorophenyl)-2-(3-methyl-4-nitrophenoxy)propanamide
CID 9384236
(2R)-N-(2-methyl-4-nitrophenyl)-2-phenoxypropanamide
CID 7453832
[(2R)-1-(2-nitroanilino)-1-oxopropan-2-yl] (2S)-2-phenoxypropanoate
CID 7833634
(2S)-N-(2-methyl-4-nitrophenyl)-2-phenoxypropanamide
CID 7453834
(2R)-N-(2,5-dichlorophenyl)-2-(3-nitrophenoxy)propanamide
CID 7865200
2-(4-chloro-3-methylphenoxy)-N-(2-nitrophenyl)propanamide
CID 2939832
(2S)-2-amino-N-(4-chloro-2-nitrophenyl)-2-phenylacetamide
CID 104897258
2-(4-chloro-2-methylphenoxy)-N-(2,4-dinitrophenyl)propanamide
CID 4158916

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-chloro-2-nitrophenyl)-2-phenoxypropanamide?
The IUPAC name of (2S)-N-(4-chloro-2-nitrophenyl)-2-phenoxypropanamide (CID 7453838) is (2S)-N-(4-chloro-2-nitrophenyl)-2-phenoxypropanamide.
What is the SMILES notation for (2S)-N-(4-chloro-2-nitrophenyl)-2-phenoxypropanamide?
The canonical SMILES for (2S)-N-(4-chloro-2-nitrophenyl)-2-phenoxypropanamide is C[C@H](Oc1ccccc1)C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-].
What is the InChIKey of (2S)-N-(4-chloro-2-nitrophenyl)-2-phenoxypropanamide?
The InChIKey is YUBPICZDBQJRIU-JTQLQIEISA-N. The full InChI is InChI=1S/C15H13ClN2O4/c1-10(22-12-5-3-2-4-6-12)15(19)17-13-8-7-11(16)9-14(13)18(20)21/h2-10H,1H3,(H,17,19)/t10-/m0/s1.
What are the key properties of (2S)-N-(4-chloro-2-nitrophenyl)-2-phenoxypropanamide?
(2S)-N-(4-chloro-2-nitrophenyl)-2-phenoxypropanamide has a molecular weight of 320.73 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-chloro-2-nitrophenyl)-2-phenoxypropanamide is sourced from PubChem (CID 7453838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).