(2R)-N-(5-chloro-2-methylphenyl)-2-(4-methyl-2-nitrophenoxy)propanamide

C17H17ClN2O4 — CID 8941358

IUPAC(2R)-N-(5-chloro-2-methylphenyl)-2-(4-methyl-2-nitrophenoxy)propanamide
SMILESCc1ccc(O[C@H](C)C(=O)Nc2cc(Cl)ccc2C)c([N+](=O)[O-])c1
InChIInChI=1S/C17H17ClN2O4/c1-10-4-7-16(15(8-10)20(22)23)24-12(3)17(21)19-14-9-13(18)6-5-11(14)2/h4-9,12H,1-3H3,(H,19,21)/t12-/m1/s1
InChIKeyQMEFDCCLYWWMDS-GFCCVEGCSA-N
MW348.79 g/mol
LogP4.27
Rot. Bonds5

About (2R)-N-(5-chloro-2-methylphenyl)-2-(4-methyl-2-nitrophenoxy)propanamide

(2R)-N-(5-chloro-2-methylphenyl)-2-(4-methyl-2-nitrophenoxy)propanamide (PubChem CID 8941358) has the molecular formula C17H17ClN2O4 and a molecular weight of 348.79 g/mol. Its IUPAC name is (2R)-N-(5-chloro-2-methylphenyl)-2-(4-methyl-2-nitrophenoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-(5-chloro-2-methylphenyl)-2-(4-methyl-2-nitrophenoxy)propanamide
PubChem CID8941358
Molecular FormulaC17H17ClN2O4
Molecular Weight348.79 g/mol
Exact Mass348.09
IUPAC Name(2R)-N-(5-chloro-2-methylphenyl)-2-(4-methyl-2-nitrophenoxy)propanamide
SMILESCc1ccc(O[C@H](C)C(=O)Nc2cc(Cl)ccc2C)c([N+](=O)[O-])c1
InChIInChI=1S/C17H17ClN2O4/c1-10-4-7-16(15(8-10)20(22)23)24-12(3)17(21)19-14-9-13(18)6-5-11(14)2/h4-9,12H,1-3H3,(H,19,21)/t12-/m1/s1
InChIKeyQMEFDCCLYWWMDS-GFCCVEGCSA-N
XLogP4.27
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.79
LogP ≤ 54.27
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

N-(5-chloro-2-methylphenyl)-2-(2-nitro-4-sulfamoylphenoxy)propanamide
CID 42938919
(2S)-N-(4-chlorophenyl)-2-(4-methyl-2-nitrophenoxy)propanamide
CID 8562600
(2S)-N-(2-chlorophenyl)-2-(4-methyl-2-nitrophenoxy)propanamide
CID 8941027
methyl 4-[(2S)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl]oxy-3-nitrobenzoate
CID 9003263
(2R)-N-(2-bromo-4-methylphenyl)-2-(4-methyl-2-nitrophenoxy)propanamide
CID 8941347
(2S)-N-(4-acetamidophenyl)-2-(4-chloro-2-nitrophenoxy)propanamide
CID 7979689
(2R)-N-(4-methoxy-2-nitrophenyl)-2-(4-methyl-2-nitrophenoxy)propanamide
CID 8941065
(2S)-2-(4-chloro-2-nitrophenoxy)-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 8569313
(2R)-N-(5-chloro-2-methylphenyl)-2-(4-methylphenoxy)propanamide
CID 837813
[(2S)-1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl] 3-methyl-4-nitrobenzoate
CID 7709544
2-(4-chloro-2-methylphenoxy)-N-(2,4-dinitrophenyl)propanamide
CID 4158916
(2R)-2-(4-methyl-2-nitrophenoxy)-N-(3-methylphenyl)propanamide
CID 8562253

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(5-chloro-2-methylphenyl)-2-(4-methyl-2-nitrophenoxy)propanamide?
The IUPAC name of (2R)-N-(5-chloro-2-methylphenyl)-2-(4-methyl-2-nitrophenoxy)propanamide (CID 8941358) is (2R)-N-(5-chloro-2-methylphenyl)-2-(4-methyl-2-nitrophenoxy)propanamide.
What is the SMILES notation for (2R)-N-(5-chloro-2-methylphenyl)-2-(4-methyl-2-nitrophenoxy)propanamide?
The canonical SMILES for (2R)-N-(5-chloro-2-methylphenyl)-2-(4-methyl-2-nitrophenoxy)propanamide is Cc1ccc(O[C@H](C)C(=O)Nc2cc(Cl)ccc2C)c([N+](=O)[O-])c1.
What is the InChIKey of (2R)-N-(5-chloro-2-methylphenyl)-2-(4-methyl-2-nitrophenoxy)propanamide?
The InChIKey is QMEFDCCLYWWMDS-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H17ClN2O4/c1-10-4-7-16(15(8-10)20(22)23)24-12(3)17(21)19-14-9-13(18)6-5-11(14)2/h4-9,12H,1-3H3,(H,19,21)/t12-/m1/s1.
What are the key properties of (2R)-N-(5-chloro-2-methylphenyl)-2-(4-methyl-2-nitrophenoxy)propanamide?
(2R)-N-(5-chloro-2-methylphenyl)-2-(4-methyl-2-nitrophenoxy)propanamide has a molecular weight of 348.79 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(5-chloro-2-methylphenyl)-2-(4-methyl-2-nitrophenoxy)propanamide is sourced from PubChem (CID 8941358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).