(2R)-2-(2-chloro-4-nitrophenoxy)-N-(2-ethoxyphenyl)propanamide

C17H17ClN2O5 — CID 8956882

IUPAC(2R)-2-(2-chloro-4-nitrophenoxy)-N-(2-ethoxyphenyl)propanamide
SMILESCCOc1ccccc1NC(=O)[C@@H](C)Oc1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C17H17ClN2O5/c1-3-24-16-7-5-4-6-14(16)19-17(21)11(2)25-15-9-8-12(20(22)23)10-13(15)18/h4-11H,3H2,1-2H3,(H,19,21)/t11-/m1/s1
InChIKeyHWFANRHNCVUFLV-LLVKDONJSA-N
MW364.79 g/mol
LogP4.05
Rot. Bonds7

About (2R)-2-(2-chloro-4-nitrophenoxy)-N-(2-ethoxyphenyl)propanamide

(2R)-2-(2-chloro-4-nitrophenoxy)-N-(2-ethoxyphenyl)propanamide (PubChem CID 8956882) has the molecular formula C17H17ClN2O5 and a molecular weight of 364.79 g/mol. Its IUPAC name is (2R)-2-(2-chloro-4-nitrophenoxy)-N-(2-ethoxyphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(2-chloro-4-nitrophenoxy)-N-(2-ethoxyphenyl)propanamide
PubChem CID8956882
Molecular FormulaC17H17ClN2O5
Molecular Weight364.79 g/mol
Exact Mass364.08
IUPAC Name(2R)-2-(2-chloro-4-nitrophenoxy)-N-(2-ethoxyphenyl)propanamide
SMILESCCOc1ccccc1NC(=O)[C@@H](C)Oc1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C17H17ClN2O5/c1-3-24-16-7-5-4-6-14(16)19-17(21)11(2)25-15-9-8-12(20(22)23)10-13(15)18/h4-11H,3H2,1-2H3,(H,19,21)/t11-/m1/s1
InChIKeyHWFANRHNCVUFLV-LLVKDONJSA-N
XLogP4.05
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.79
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

(2S)-N-(2-ethoxyphenyl)-2-(2-methoxy-5-nitrophenoxy)propanamide
CID 8947212
(2S)-2-(2-chloro-4-nitrophenoxy)-N-(2-propan-2-ylphenyl)propanamide
CID 8956846
(2R)-2-(2-chloro-4-nitrophenoxy)-N-(2-cyanophenyl)propanamide
CID 7865952
(2S)-N-(2-ethoxyphenyl)-2-(4-methyl-2-nitrophenoxy)propanamide
CID 8941253
(2S)-2-(2-chlorophenoxy)-N-(2-methoxy-5-nitrophenyl)propanamide
CID 2707147
(2S)-2-(2-chloro-4-nitrophenoxy)-N-(2,5-dichlorophenyl)propanamide
CID 7865912
(2S)-2-(2-chloro-4-nitrophenoxy)-N-(2,4-difluorophenyl)propanamide
CID 8956858
(2S)-2-(2-chloro-4-nitrophenoxy)-N-ethylpropanamide
CID 9410254
(2S)-N-(2-chlorophenyl)-2-(2-methoxy-5-nitrophenoxy)propanamide
CID 8947062
2-(2,4-dichlorophenoxy)-N-(2-propoxyphenyl)propanamide
CID 42997775
(2R)-2-(2-chloro-4-nitrophenoxy)-N-(4-propan-2-ylphenyl)propanamide
CID 7865944
(2S)-2-(2,4-dichlorophenoxy)-N-(2-methyl-4-nitrophenyl)propanamide
CID 7278991

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-chloro-4-nitrophenoxy)-N-(2-ethoxyphenyl)propanamide?
The IUPAC name of (2R)-2-(2-chloro-4-nitrophenoxy)-N-(2-ethoxyphenyl)propanamide (CID 8956882) is (2R)-2-(2-chloro-4-nitrophenoxy)-N-(2-ethoxyphenyl)propanamide.
What is the SMILES notation for (2R)-2-(2-chloro-4-nitrophenoxy)-N-(2-ethoxyphenyl)propanamide?
The canonical SMILES for (2R)-2-(2-chloro-4-nitrophenoxy)-N-(2-ethoxyphenyl)propanamide is CCOc1ccccc1NC(=O)[C@@H](C)Oc1ccc([N+](=O)[O-])cc1Cl.
What is the InChIKey of (2R)-2-(2-chloro-4-nitrophenoxy)-N-(2-ethoxyphenyl)propanamide?
The InChIKey is HWFANRHNCVUFLV-LLVKDONJSA-N. The full InChI is InChI=1S/C17H17ClN2O5/c1-3-24-16-7-5-4-6-14(16)19-17(21)11(2)25-15-9-8-12(20(22)23)10-13(15)18/h4-11H,3H2,1-2H3,(H,19,21)/t11-/m1/s1.
What are the key properties of (2R)-2-(2-chloro-4-nitrophenoxy)-N-(2-ethoxyphenyl)propanamide?
(2R)-2-(2-chloro-4-nitrophenoxy)-N-(2-ethoxyphenyl)propanamide has a molecular weight of 364.79 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-chloro-4-nitrophenoxy)-N-(2-ethoxyphenyl)propanamide is sourced from PubChem (CID 8956882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).