(2S)-N-(3-chloro-2-methylphenyl)-2-(4-methoxy-2-nitrophenoxy)propanamide

C17H17ClN2O5 — CID 8886627

IUPAC(2S)-N-(3-chloro-2-methylphenyl)-2-(4-methoxy-2-nitrophenoxy)propanamide
SMILESCOc1ccc(O[C@@H](C)C(=O)Nc2cccc(Cl)c2C)c([N+](=O)[O-])c1
InChIInChI=1S/C17H17ClN2O5/c1-10-13(18)5-4-6-14(10)19-17(21)11(2)25-16-8-7-12(24-3)9-15(16)20(22)23/h4-9,11H,1-3H3,(H,19,21)/t11-/m0/s1
InChIKeyZEBHHLYSLJWQCL-NSHDSACASA-N
MW364.79 g/mol
LogP3.97
Rot. Bonds6

About (2S)-N-(3-chloro-2-methylphenyl)-2-(4-methoxy-2-nitrophenoxy)propanamide

(2S)-N-(3-chloro-2-methylphenyl)-2-(4-methoxy-2-nitrophenoxy)propanamide (PubChem CID 8886627) has the molecular formula C17H17ClN2O5 and a molecular weight of 364.79 g/mol. Its IUPAC name is (2S)-N-(3-chloro-2-methylphenyl)-2-(4-methoxy-2-nitrophenoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-(3-chloro-2-methylphenyl)-2-(4-methoxy-2-nitrophenoxy)propanamide
PubChem CID8886627
Molecular FormulaC17H17ClN2O5
Molecular Weight364.79 g/mol
Exact Mass364.08
IUPAC Name(2S)-N-(3-chloro-2-methylphenyl)-2-(4-methoxy-2-nitrophenoxy)propanamide
SMILESCOc1ccc(O[C@@H](C)C(=O)Nc2cccc(Cl)c2C)c([N+](=O)[O-])c1
InChIInChI=1S/C17H17ClN2O5/c1-10-13(18)5-4-6-14(10)19-17(21)11(2)25-16-8-7-12(24-3)9-15(16)20(22)23/h4-9,11H,1-3H3,(H,19,21)/t11-/m0/s1
InChIKeyZEBHHLYSLJWQCL-NSHDSACASA-N
XLogP3.97
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.79
LogP ≤ 53.97
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

(2R)-N-(4-methoxy-2-nitrophenyl)-2-(4-methyl-2-nitrophenoxy)propanamide
CID 8941065
(2S)-N-(2-chlorophenyl)-2-(4-methyl-2-nitrophenoxy)propanamide
CID 8941027
(2R)-2-(4-chloro-2-nitrophenoxy)-N-(3-methoxyphenyl)propanamide
CID 7990797
(2S)-2-(4-methoxy-2-nitrophenoxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 41176243
N-(2-chlorophenyl)-2-(2-nitrophenoxy)propanamide
CID 4943656
(2S)-N-(3-chloro-2-methylphenyl)-2-(2-methylphenoxy)propanamide
CID 837792
(2R)-N-(2-chlorophenyl)-2-(3-methyl-4-nitrophenoxy)propanamide
CID 9384201
(2S)-N-(3-chloro-2-methylphenyl)-2-(2,3,5-trimethylphenoxy)propanamide
CID 92680538
(2R)-2-(4-methoxy-2-nitrophenoxy)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 7473538
(2R)-2-(3-bromophenoxy)-N-(4-methoxy-2-nitrophenyl)propanamide
CID 7090808
(2S)-N-(2-chlorophenyl)-2-(2-methoxy-5-nitrophenoxy)propanamide
CID 8947062
2-(2-nitrophenoxy)-N-(2,4,5-trichlorophenyl)propanamide
CID 4943784

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-chloro-2-methylphenyl)-2-(4-methoxy-2-nitrophenoxy)propanamide?
The IUPAC name of (2S)-N-(3-chloro-2-methylphenyl)-2-(4-methoxy-2-nitrophenoxy)propanamide (CID 8886627) is (2S)-N-(3-chloro-2-methylphenyl)-2-(4-methoxy-2-nitrophenoxy)propanamide.
What is the SMILES notation for (2S)-N-(3-chloro-2-methylphenyl)-2-(4-methoxy-2-nitrophenoxy)propanamide?
The canonical SMILES for (2S)-N-(3-chloro-2-methylphenyl)-2-(4-methoxy-2-nitrophenoxy)propanamide is COc1ccc(O[C@@H](C)C(=O)Nc2cccc(Cl)c2C)c([N+](=O)[O-])c1.
What is the InChIKey of (2S)-N-(3-chloro-2-methylphenyl)-2-(4-methoxy-2-nitrophenoxy)propanamide?
The InChIKey is ZEBHHLYSLJWQCL-NSHDSACASA-N. The full InChI is InChI=1S/C17H17ClN2O5/c1-10-13(18)5-4-6-14(10)19-17(21)11(2)25-16-8-7-12(24-3)9-15(16)20(22)23/h4-9,11H,1-3H3,(H,19,21)/t11-/m0/s1.
What are the key properties of (2S)-N-(3-chloro-2-methylphenyl)-2-(4-methoxy-2-nitrophenoxy)propanamide?
(2S)-N-(3-chloro-2-methylphenyl)-2-(4-methoxy-2-nitrophenoxy)propanamide has a molecular weight of 364.79 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-chloro-2-methylphenyl)-2-(4-methoxy-2-nitrophenoxy)propanamide is sourced from PubChem (CID 8886627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).