(2S)-2-(2-chlorophenoxy)-N-(3-nitrophenyl)propanamide

C15H13ClN2O4 — CID 2631902

IUPAC(2S)-2-(2-chlorophenoxy)-N-(3-nitrophenyl)propanamide
SMILESC[C@H](Oc1ccccc1Cl)C(=O)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H13ClN2O4/c1-10(22-14-8-3-2-7-13(14)16)15(19)17-11-5-4-6-12(9-11)18(20)21/h2-10H,1H3,(H,17,19)/t10-/m0/s1
InChIKeyLTHIBIFSXGSVNE-JTQLQIEISA-N
MW320.73 g/mol
LogP3.65
Rot. Bonds5

About (2S)-2-(2-chlorophenoxy)-N-(3-nitrophenyl)propanamide

(2S)-2-(2-chlorophenoxy)-N-(3-nitrophenyl)propanamide (PubChem CID 2631902) has the molecular formula C15H13ClN2O4 and a molecular weight of 320.73 g/mol. Its IUPAC name is (2S)-2-(2-chlorophenoxy)-N-(3-nitrophenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(2-chlorophenoxy)-N-(3-nitrophenyl)propanamide
PubChem CID2631902
Molecular FormulaC15H13ClN2O4
Molecular Weight320.73 g/mol
Exact Mass320.06
IUPAC Name(2S)-2-(2-chlorophenoxy)-N-(3-nitrophenyl)propanamide
SMILESC[C@H](Oc1ccccc1Cl)C(=O)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H13ClN2O4/c1-10(22-14-8-3-2-7-13(14)16)15(19)17-11-5-4-6-12(9-11)18(20)21/h2-10H,1H3,(H,17,19)/t10-/m0/s1
InChIKeyLTHIBIFSXGSVNE-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'}

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Related Compounds

2-(2,3-dichlorophenoxy)-N-(3-nitrophenyl)propanamide
CID 42990450
2-(3,4-dichlorophenoxy)-N-(3-nitrophenyl)propanamide
CID 13052549
[1-(3-nitroanilino)-1-oxopropan-2-yl] 2-(2,4-dichlorophenoxy)propanoate
CID 23822406
2-(2-chlorophenoxy)-N-(3-propan-2-yloxyphenyl)propanamide
CID 17154741
2-(2,3-dichlorophenoxy)-N-(4-nitrophenyl)propanamide
CID 42990455
N'-[2-(2-chlorophenoxy)propanoyl]-3-nitrobenzohydrazide
CID 4932285
(2S)-2-(2-chlorophenoxy)-N-(2-methoxy-5-nitrophenyl)propanamide
CID 2707147
(2S)-2-(3-methoxyphenoxy)-N-(3-nitrophenyl)propanamide
CID 30377777
(2S)-N-(3-chloro-4-methoxyphenyl)-2-(2-chloro-4-nitrophenoxy)propanamide
CID 8956892
(2S)-2-(2-chlorophenoxy)-N-(3,5-dichlorophenyl)propanamide
CID 2631906
(2S)-2-(2-chloro-4-nitrophenoxy)-N-(3,4-dimethoxyphenyl)propanamide
CID 8956878
(2R)-2-(2-chloro-4-nitrophenoxy)-N-(4-propan-2-ylphenyl)propanamide
CID 7865944

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-chlorophenoxy)-N-(3-nitrophenyl)propanamide?
The IUPAC name of (2S)-2-(2-chlorophenoxy)-N-(3-nitrophenyl)propanamide (CID 2631902) is (2S)-2-(2-chlorophenoxy)-N-(3-nitrophenyl)propanamide.
What is the SMILES notation for (2S)-2-(2-chlorophenoxy)-N-(3-nitrophenyl)propanamide?
The canonical SMILES for (2S)-2-(2-chlorophenoxy)-N-(3-nitrophenyl)propanamide is C[C@H](Oc1ccccc1Cl)C(=O)Nc1cccc([N+](=O)[O-])c1.
What is the InChIKey of (2S)-2-(2-chlorophenoxy)-N-(3-nitrophenyl)propanamide?
The InChIKey is LTHIBIFSXGSVNE-JTQLQIEISA-N. The full InChI is InChI=1S/C15H13ClN2O4/c1-10(22-14-8-3-2-7-13(14)16)15(19)17-11-5-4-6-12(9-11)18(20)21/h2-10H,1H3,(H,17,19)/t10-/m0/s1.
What are the key properties of (2S)-2-(2-chlorophenoxy)-N-(3-nitrophenyl)propanamide?
(2S)-2-(2-chlorophenoxy)-N-(3-nitrophenyl)propanamide 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)-2-(2-chlorophenoxy)-N-(3-nitrophenyl)propanamide is sourced from PubChem (CID 2631902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).