(2R)-N-(4-bromo-2-nitrophenyl)-2-methoxypropanamide

C10H11BrN2O4 — CID 177353774

IUPAC(2R)-N-(4-bromo-2-nitrophenyl)-2-methoxypropanamide
SMILESCO[C@H](C)C(=O)Nc1ccc(Br)cc1[N+](=O)[O-]
InChIInChI=1S/C10H11BrN2O4/c1-6(17-2)10(14)12-8-4-3-7(11)5-9(8)13(15)16/h3-6H,1-2H3,(H,12,14)/t6-/m1/s1
InChIKeyBWCWMTQUVCXJHK-ZCFIWIBFSA-N
MW303.11 g/mol
LogP2.33
Rot. Bonds4

About (2R)-N-(4-bromo-2-nitrophenyl)-2-methoxypropanamide

(2R)-N-(4-bromo-2-nitrophenyl)-2-methoxypropanamide (PubChem CID 177353774) has the molecular formula C10H11BrN2O4 and a molecular weight of 303.11 g/mol. Its IUPAC name is (2R)-N-(4-bromo-2-nitrophenyl)-2-methoxypropanamide.

Molecular Properties

Compound Name(2R)-N-(4-bromo-2-nitrophenyl)-2-methoxypropanamide
PubChem CID177353774
Molecular FormulaC10H11BrN2O4
Molecular Weight303.11 g/mol
Exact Mass301.99
IUPAC Name(2R)-N-(4-bromo-2-nitrophenyl)-2-methoxypropanamide
SMILESCO[C@H](C)C(=O)Nc1ccc(Br)cc1[N+](=O)[O-]
InChIInChI=1S/C10H11BrN2O4/c1-6(17-2)10(14)12-8-4-3-7(11)5-9(8)13(15)16/h3-6H,1-2H3,(H,12,14)/t6-/m1/s1
InChIKeyBWCWMTQUVCXJHK-ZCFIWIBFSA-N
XLogP2.33
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.11
LogP ≤ 52.33
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

2-amino-N-(4-bromo-2-nitrophenyl)propanamide
CID 43711578
N-(4-bromo-2-nitrophenyl)-2,2-difluoroacetamide
CID 58381574
N-(4-bromo-2-nitrophenyl)-3-chloro-2-methylpropanamide
CID 55110433
2-amino-N-(4-bromo-2-nitrophenyl)-3-methylpentanamide
CID 43711584
(2R)-2-(3-bromophenoxy)-N-(4-methoxy-2-nitrophenyl)propanamide
CID 7090808
(4-bromo-2-nitrophenyl)urea
CID 54074030
N-(4-bromo-2-nitrophenyl)-3-oxobutanamide
CID 4136951
2-(4-bromophenoxy)-N-(2-nitrophenyl)propanamide
CID 2953745
methyl 4-bromo-2-(2-methoxypropanoylamino)benzoate
CID 126841119
[2-(4-bromo-2-nitroanilino)-2-oxoethyl]-dimethylazanium
CID 7479180
(2S)-2-(4-bromo-2-nitroanilino)-3-methylbutanoic acid
CID 93310217
N-(4-bromo-2-nitrophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604592

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-bromo-2-nitrophenyl)-2-methoxypropanamide?
The IUPAC name of (2R)-N-(4-bromo-2-nitrophenyl)-2-methoxypropanamide (CID 177353774) is (2R)-N-(4-bromo-2-nitrophenyl)-2-methoxypropanamide.
What is the SMILES notation for (2R)-N-(4-bromo-2-nitrophenyl)-2-methoxypropanamide?
The canonical SMILES for (2R)-N-(4-bromo-2-nitrophenyl)-2-methoxypropanamide is CO[C@H](C)C(=O)Nc1ccc(Br)cc1[N+](=O)[O-].
What is the InChIKey of (2R)-N-(4-bromo-2-nitrophenyl)-2-methoxypropanamide?
The InChIKey is BWCWMTQUVCXJHK-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H11BrN2O4/c1-6(17-2)10(14)12-8-4-3-7(11)5-9(8)13(15)16/h3-6H,1-2H3,(H,12,14)/t6-/m1/s1.
What are the key properties of (2R)-N-(4-bromo-2-nitrophenyl)-2-methoxypropanamide?
(2R)-N-(4-bromo-2-nitrophenyl)-2-methoxypropanamide has a molecular weight of 303.11 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-bromo-2-nitrophenyl)-2-methoxypropanamide is sourced from PubChem (CID 177353774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).