(2R)-N-(2-bromo-4-methylphenyl)-2-(4-methyl-2-nitrophenoxy)propanamide

C17H17BrN2O4 — CID 8941347

IUPAC(2R)-N-(2-bromo-4-methylphenyl)-2-(4-methyl-2-nitrophenoxy)propanamide
SMILESCc1ccc(NC(=O)[C@@H](C)Oc2ccc(C)cc2[N+](=O)[O-])c(Br)c1
InChIInChI=1S/C17H17BrN2O4/c1-10-4-6-14(13(18)8-10)19-17(21)12(3)24-16-7-5-11(2)9-15(16)20(22)23/h4-9,12H,1-3H3,(H,19,21)/t12-/m1/s1
InChIKeyVKSYHSKRTBGMDB-GFCCVEGCSA-N
MW393.24 g/mol
LogP4.38
Rot. Bonds5

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

(2R)-N-(2-bromo-4-methylphenyl)-2-(4-methyl-2-nitrophenoxy)propanamide (PubChem CID 8941347) has the molecular formula C17H17BrN2O4 and a molecular weight of 393.24 g/mol. Its IUPAC name is (2R)-N-(2-bromo-4-methylphenyl)-2-(4-methyl-2-nitrophenoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-(2-bromo-4-methylphenyl)-2-(4-methyl-2-nitrophenoxy)propanamide
PubChem CID8941347
Molecular FormulaC17H17BrN2O4
Molecular Weight393.24 g/mol
Exact Mass392.04
IUPAC Name(2R)-N-(2-bromo-4-methylphenyl)-2-(4-methyl-2-nitrophenoxy)propanamide
SMILESCc1ccc(NC(=O)[C@@H](C)Oc2ccc(C)cc2[N+](=O)[O-])c(Br)c1
InChIInChI=1S/C17H17BrN2O4/c1-10-4-6-14(13(18)8-10)19-17(21)12(3)24-16-7-5-11(2)9-15(16)20(22)23/h4-9,12H,1-3H3,(H,19,21)/t12-/m1/s1
InChIKeyVKSYHSKRTBGMDB-GFCCVEGCSA-N
XLogP4.38
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.24
LogP ≤ 54.38
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

(2R)-N-(2-bromo-4-methylphenyl)-2-(4-formyl-2-nitrophenoxy)propanamide
CID 8559143
(2R)-N-(2-bromo-4-methylphenyl)-2-(2-methoxy-5-nitrophenoxy)propanamide
CID 8947249
(2R)-N-(4-methoxy-2-nitrophenyl)-2-(4-methyl-2-nitrophenoxy)propanamide
CID 8941065
(2R)-2-(4-methyl-2-nitrophenoxy)-N-(3-methylphenyl)propanamide
CID 8562253
(2S)-N-(2-chlorophenyl)-2-(4-methyl-2-nitrophenoxy)propanamide
CID 8941027
(2R)-N-(5-chloro-2-methylphenyl)-2-(4-methyl-2-nitrophenoxy)propanamide
CID 8941358
(2R)-2-(4-methyl-2-nitrophenoxy)-N-[4-nitro-2-(trifluoromethyl)phenyl]propanamide
CID 8562702
(2S)-N-(2-ethoxyphenyl)-2-(4-methyl-2-nitrophenoxy)propanamide
CID 8941253
(2S)-N-(2,4-dimethylphenyl)-2-(4-formyl-2-nitrophenoxy)propanamide
CID 8558864
(2S)-N-(4-chlorophenyl)-2-(4-methyl-2-nitrophenoxy)propanamide
CID 8562600
(2R)-N-(4-acetylphenyl)-2-(4-methyl-2-nitrophenoxy)propanamide
CID 8560082
methyl 4-[(2S)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl]oxy-3-nitrobenzoate
CID 9003263

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-bromo-4-methylphenyl)-2-(4-methyl-2-nitrophenoxy)propanamide?
The IUPAC name of (2R)-N-(2-bromo-4-methylphenyl)-2-(4-methyl-2-nitrophenoxy)propanamide (CID 8941347) is (2R)-N-(2-bromo-4-methylphenyl)-2-(4-methyl-2-nitrophenoxy)propanamide.
What is the SMILES notation for (2R)-N-(2-bromo-4-methylphenyl)-2-(4-methyl-2-nitrophenoxy)propanamide?
The canonical SMILES for (2R)-N-(2-bromo-4-methylphenyl)-2-(4-methyl-2-nitrophenoxy)propanamide is Cc1ccc(NC(=O)[C@@H](C)Oc2ccc(C)cc2[N+](=O)[O-])c(Br)c1.
What is the InChIKey of (2R)-N-(2-bromo-4-methylphenyl)-2-(4-methyl-2-nitrophenoxy)propanamide?
The InChIKey is VKSYHSKRTBGMDB-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H17BrN2O4/c1-10-4-6-14(13(18)8-10)19-17(21)12(3)24-16-7-5-11(2)9-15(16)20(22)23/h4-9,12H,1-3H3,(H,19,21)/t12-/m1/s1.
What are the key properties of (2R)-N-(2-bromo-4-methylphenyl)-2-(4-methyl-2-nitrophenoxy)propanamide?
(2R)-N-(2-bromo-4-methylphenyl)-2-(4-methyl-2-nitrophenoxy)propanamide has a molecular weight of 393.24 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-bromo-4-methylphenyl)-2-(4-methyl-2-nitrophenoxy)propanamide is sourced from PubChem (CID 8941347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).