2-bromo-3-(2-bromo-4-methyl-5-nitrophenyl)propanamide

C10H10Br2N2O3 — CID 104815612

IUPAC2-bromo-3-(2-bromo-4-methyl-5-nitrophenyl)propanamide
SMILESCc1cc(Br)c(CC(Br)C(N)=O)cc1[N+](=O)[O-]
InChIInChI=1S/C10H10Br2N2O3/c1-5-2-7(11)6(3-8(12)10(13)15)4-9(5)14(16)17/h2,4,8H,3H2,1H3,(H2,13,15)
InChIKeyCGGZUBILRPTZSJ-UHFFFAOYSA-N
MW366.01 g/mol
LogP2.46
Rot. Bonds4

About 2-bromo-3-(2-bromo-4-methyl-5-nitrophenyl)propanamide

2-bromo-3-(2-bromo-4-methyl-5-nitrophenyl)propanamide (PubChem CID 104815612) has the molecular formula C10H10Br2N2O3 and a molecular weight of 366.01 g/mol. Its IUPAC name is 2-bromo-3-(2-bromo-4-methyl-5-nitrophenyl)propanamide.

Molecular Properties

Compound Name2-bromo-3-(2-bromo-4-methyl-5-nitrophenyl)propanamide
PubChem CID104815612
Molecular FormulaC10H10Br2N2O3
Molecular Weight366.01 g/mol
Exact Mass363.91
IUPAC Name2-bromo-3-(2-bromo-4-methyl-5-nitrophenyl)propanamide
SMILESCc1cc(Br)c(CC(Br)C(N)=O)cc1[N+](=O)[O-]
InChIInChI=1S/C10H10Br2N2O3/c1-5-2-7(11)6(3-8(12)10(13)15)4-9(5)14(16)17/h2,4,8H,3H2,1H3,(H2,13,15)
InChIKeyCGGZUBILRPTZSJ-UHFFFAOYSA-N
XLogP2.46
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.01
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(bromomethyl)-2,4-dimethyl-5-nitrobenzene
CID 131011181
(2-bromo-5-methyl-4-nitrophenyl)methanol
CID 119024875
2-bromo-3-(4-fluoro-2-nitrophenyl)propanamide
CID 104513119
methyl 2-[2-(bromomethyl)-4-methyl-5-nitrophenyl]acetate
CID 171019819
2-(2-bromo-4-methyl-5-nitrophenyl)-2-hydroxyacetic acid
CID 119015806
(2R)-2-amino-N-(2-bromo-4-methyl-5-nitrophenyl)butanamide
CID 104815291
ethyl 2-bromo-3-(2-bromo-5-nitrophenyl)propanoate
CID 83197179
ethyl 2-bromo-3-(2-bromo-4-nitrophenyl)propanoate
CID 83197630
methyl 2-bromo-5-methyl-4-nitrobenzoate
CID 131297356
1-ethyl-2,4-dimethyl-5-nitrobenzene
CID 20695705
2-amino-N-(2-bromo-4-methyl-5-nitrophenyl)pentanamide
CID 104815294
(2R)-2-amino-N-(2-bromo-4-methyl-5-nitrophenyl)pentanamide
CID 107570599

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-(2-bromo-4-methyl-5-nitrophenyl)propanamide?
The IUPAC name of 2-bromo-3-(2-bromo-4-methyl-5-nitrophenyl)propanamide (CID 104815612) is 2-bromo-3-(2-bromo-4-methyl-5-nitrophenyl)propanamide.
What is the SMILES notation for 2-bromo-3-(2-bromo-4-methyl-5-nitrophenyl)propanamide?
The canonical SMILES for 2-bromo-3-(2-bromo-4-methyl-5-nitrophenyl)propanamide is Cc1cc(Br)c(CC(Br)C(N)=O)cc1[N+](=O)[O-].
What is the InChIKey of 2-bromo-3-(2-bromo-4-methyl-5-nitrophenyl)propanamide?
The InChIKey is CGGZUBILRPTZSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Br2N2O3/c1-5-2-7(11)6(3-8(12)10(13)15)4-9(5)14(16)17/h2,4,8H,3H2,1H3,(H2,13,15).
What are the key properties of 2-bromo-3-(2-bromo-4-methyl-5-nitrophenyl)propanamide?
2-bromo-3-(2-bromo-4-methyl-5-nitrophenyl)propanamide has a molecular weight of 366.01 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-(2-bromo-4-methyl-5-nitrophenyl)propanamide is sourced from PubChem (CID 104815612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).