(2R)-N-(2-bromo-4-methylphenyl)-2-(2-methoxy-5-nitrophenoxy)propanamide

C17H17BrN2O5 — CID 8947249

IUPAC(2R)-N-(2-bromo-4-methylphenyl)-2-(2-methoxy-5-nitrophenoxy)propanamide
SMILESCOc1ccc([N+](=O)[O-])cc1O[C@H](C)C(=O)Nc1ccc(C)cc1Br
InChIInChI=1S/C17H17BrN2O5/c1-10-4-6-14(13(18)8-10)19-17(21)11(2)25-16-9-12(20(22)23)5-7-15(16)24-3/h4-9,11H,1-3H3,(H,19,21)/t11-/m1/s1
InChIKeyDXHXFZMKVNKTLG-LLVKDONJSA-N
MW409.24 g/mol
LogP4.08
Rot. Bonds6

About (2R)-N-(2-bromo-4-methylphenyl)-2-(2-methoxy-5-nitrophenoxy)propanamide

(2R)-N-(2-bromo-4-methylphenyl)-2-(2-methoxy-5-nitrophenoxy)propanamide (PubChem CID 8947249) has the molecular formula C17H17BrN2O5 and a molecular weight of 409.24 g/mol. Its IUPAC name is (2R)-N-(2-bromo-4-methylphenyl)-2-(2-methoxy-5-nitrophenoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-(2-bromo-4-methylphenyl)-2-(2-methoxy-5-nitrophenoxy)propanamide
PubChem CID8947249
Molecular FormulaC17H17BrN2O5
Molecular Weight409.24 g/mol
Exact Mass408.03
IUPAC Name(2R)-N-(2-bromo-4-methylphenyl)-2-(2-methoxy-5-nitrophenoxy)propanamide
SMILESCOc1ccc([N+](=O)[O-])cc1O[C@H](C)C(=O)Nc1ccc(C)cc1Br
InChIInChI=1S/C17H17BrN2O5/c1-10-4-6-14(13(18)8-10)19-17(21)11(2)25-16-9-12(20(22)23)5-7-15(16)24-3/h4-9,11H,1-3H3,(H,19,21)/t11-/m1/s1
InChIKeyDXHXFZMKVNKTLG-LLVKDONJSA-N
XLogP4.08
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.24
LogP ≤ 54.08
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-(2,4-dimethylphenyl)-2-(2-methoxy-5-nitrophenoxy)propanamide
CID 8947097
(2R)-N-(2-bromo-4-methylphenyl)-2-(4-methyl-2-nitrophenoxy)propanamide
CID 8941347
(2R)-N-(4-bromophenyl)-2-(2-methoxy-5-nitrophenoxy)propanamide
CID 7931785
(2S)-2-(2-methoxy-5-nitrophenoxy)-N-(2,4,6-trimethylphenyl)propanamide
CID 7931851
(2S)-N-(2-chlorophenyl)-2-(2-methoxy-5-nitrophenoxy)propanamide
CID 8947062
2-(3,5-dimethylphenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide
CID 53266234
(2R)-N-(2-bromo-4-methylphenyl)-2-(4-formyl-2-nitrophenoxy)propanamide
CID 8559143
(2S)-2-(4-chloro-2-methylphenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide
CID 7409517
N-[2-(difluoromethoxy)phenyl]-2-(2-methoxy-5-nitrophenoxy)propanamide
CID 46650196
(2S)-2-(2-methoxy-5-nitrophenoxy)-N-(4-methoxyphenyl)propanamide
CID 8947121
(2R)-N-(2-methoxy-4-nitrophenyl)-2-(4-nitrophenoxy)propanamide
CID 7816909
(2S)-N-(2-methoxy-5-methylphenyl)-2-(3-nitrophenoxy)propanamide
CID 8956638

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-bromo-4-methylphenyl)-2-(2-methoxy-5-nitrophenoxy)propanamide?
The IUPAC name of (2R)-N-(2-bromo-4-methylphenyl)-2-(2-methoxy-5-nitrophenoxy)propanamide (CID 8947249) is (2R)-N-(2-bromo-4-methylphenyl)-2-(2-methoxy-5-nitrophenoxy)propanamide.
What is the SMILES notation for (2R)-N-(2-bromo-4-methylphenyl)-2-(2-methoxy-5-nitrophenoxy)propanamide?
The canonical SMILES for (2R)-N-(2-bromo-4-methylphenyl)-2-(2-methoxy-5-nitrophenoxy)propanamide is COc1ccc([N+](=O)[O-])cc1O[C@H](C)C(=O)Nc1ccc(C)cc1Br.
What is the InChIKey of (2R)-N-(2-bromo-4-methylphenyl)-2-(2-methoxy-5-nitrophenoxy)propanamide?
The InChIKey is DXHXFZMKVNKTLG-LLVKDONJSA-N. The full InChI is InChI=1S/C17H17BrN2O5/c1-10-4-6-14(13(18)8-10)19-17(21)11(2)25-16-9-12(20(22)23)5-7-15(16)24-3/h4-9,11H,1-3H3,(H,19,21)/t11-/m1/s1.
What are the key properties of (2R)-N-(2-bromo-4-methylphenyl)-2-(2-methoxy-5-nitrophenoxy)propanamide?
(2R)-N-(2-bromo-4-methylphenyl)-2-(2-methoxy-5-nitrophenoxy)propanamide has a molecular weight of 409.24 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-bromo-4-methylphenyl)-2-(2-methoxy-5-nitrophenoxy)propanamide is sourced from PubChem (CID 8947249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).