2-(2-bromo-4-nitrophenyl)-N-[(2R,3R)-2-methyloxolan-3-yl]acetamide

C13H15BrN2O4 — CID 97249828

IUPAC2-(2-bromo-4-nitrophenyl)-N-[(2R,3R)-2-methyloxolan-3-yl]acetamide
SMILESC[C@H]1OCC[C@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1Br
InChIInChI=1S/C13H15BrN2O4/c1-8-12(4-5-20-8)15-13(17)6-9-2-3-10(16(18)19)7-11(9)14/h2-3,7-8,12H,4-6H2,1H3,(H,15,17)/t8-,12-/m1/s1
InChIKeyUYGYPUSWZRHFTA-PRHODGIISA-N
MW343.18 g/mol
LogP2.19
Rot. Bonds4

About 2-(2-bromo-4-nitrophenyl)-N-[(2R,3R)-2-methyloxolan-3-yl]acetamide

2-(2-bromo-4-nitrophenyl)-N-[(2R,3R)-2-methyloxolan-3-yl]acetamide (PubChem CID 97249828) has the molecular formula C13H15BrN2O4 and a molecular weight of 343.18 g/mol. Its IUPAC name is 2-(2-bromo-4-nitrophenyl)-N-[(2R,3R)-2-methyloxolan-3-yl]acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-nitrophenyl)-N-[(2R,3R)-2-methyloxolan-3-yl]acetamide
PubChem CID97249828
Molecular FormulaC13H15BrN2O4
Molecular Weight343.18 g/mol
Exact Mass342.02
IUPAC Name2-(2-bromo-4-nitrophenyl)-N-[(2R,3R)-2-methyloxolan-3-yl]acetamide
SMILESC[C@H]1OCC[C@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1Br
InChIInChI=1S/C13H15BrN2O4/c1-8-12(4-5-20-8)15-13(17)6-9-2-3-10(16(18)19)7-11(9)14/h2-3,7-8,12H,4-6H2,1H3,(H,15,17)/t8-,12-/m1/s1
InChIKeyUYGYPUSWZRHFTA-PRHODGIISA-N
XLogP2.19
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.18
LogP ≤ 52.19
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-(2-chloro-4-nitrophenyl)-2-methyloxolan-3-amine
CID 82727218
2-(2-bromo-4-nitrophenyl)-N-(2-hydroxy-2-methylpropyl)acetamide
CID 71972458
N-(2-aminoethyl)-2-(2-bromo-4-nitrophenyl)acetamide
CID 119383346
1-[[2-(2-bromo-4-nitrophenyl)acetyl]amino]cyclopropane-1-carboxylic acid
CID 120530481
N-[(2S)-1-aminopropan-2-yl]-2-(2-bromo-4-nitrophenyl)acetamide
CID 120507435
2-(2-bromo-4-nitrophenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone
CID 119561369
N-[(2-bromo-4-nitrophenyl)methyl]-1-(2-methylcyclohexyl)methanamine
CID 63492255
3-[(2-bromo-4-nitrophenyl)methyl]-2-methyloxolane-3-carboxylic acid
CID 114533678
N-[(2-bromo-4-nitrophenyl)methyl]-2,6-dimethylpiperidin-1-amine
CID 83021877
1-[(2-bromo-4-nitrophenyl)methyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79370444
1-[[2-(2-bromo-4-nitrophenyl)acetyl]amino]cyclobutane-1-carboxylic acid
CID 120530919
2-(2-bromo-4-nitrophenyl)-N-(4-methoxybutan-2-yl)acetamide
CID 71972552

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-nitrophenyl)-N-[(2R,3R)-2-methyloxolan-3-yl]acetamide?
The IUPAC name of 2-(2-bromo-4-nitrophenyl)-N-[(2R,3R)-2-methyloxolan-3-yl]acetamide (CID 97249828) is 2-(2-bromo-4-nitrophenyl)-N-[(2R,3R)-2-methyloxolan-3-yl]acetamide.
What is the SMILES notation for 2-(2-bromo-4-nitrophenyl)-N-[(2R,3R)-2-methyloxolan-3-yl]acetamide?
The canonical SMILES for 2-(2-bromo-4-nitrophenyl)-N-[(2R,3R)-2-methyloxolan-3-yl]acetamide is C[C@H]1OCC[C@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1Br.
What is the InChIKey of 2-(2-bromo-4-nitrophenyl)-N-[(2R,3R)-2-methyloxolan-3-yl]acetamide?
The InChIKey is UYGYPUSWZRHFTA-PRHODGIISA-N. The full InChI is InChI=1S/C13H15BrN2O4/c1-8-12(4-5-20-8)15-13(17)6-9-2-3-10(16(18)19)7-11(9)14/h2-3,7-8,12H,4-6H2,1H3,(H,15,17)/t8-,12-/m1/s1.
What are the key properties of 2-(2-bromo-4-nitrophenyl)-N-[(2R,3R)-2-methyloxolan-3-yl]acetamide?
2-(2-bromo-4-nitrophenyl)-N-[(2R,3R)-2-methyloxolan-3-yl]acetamide has a molecular weight of 343.18 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-nitrophenyl)-N-[(2R,3R)-2-methyloxolan-3-yl]acetamide is sourced from PubChem (CID 97249828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).