5-bromo-N-(2-bromo-5-nitrophenyl)pentanamide

C11H12Br2N2O3 — CID 114014927

IUPAC5-bromo-N-(2-bromo-5-nitrophenyl)pentanamide
SMILESO=C(CCCCBr)Nc1cc([N+](=O)[O-])ccc1Br
InChIInChI=1S/C11H12Br2N2O3/c12-6-2-1-3-11(16)14-10-7-8(15(17)18)4-5-9(10)13/h4-5,7H,1-3,6H2,(H,14,16)
InChIKeyBQAZMKULIDGVJC-UHFFFAOYSA-N
MW380.04 g/mol
LogP3.86
Rot. Bonds6

About 5-bromo-N-(2-bromo-5-nitrophenyl)pentanamide

5-bromo-N-(2-bromo-5-nitrophenyl)pentanamide (PubChem CID 114014927) has the molecular formula C11H12Br2N2O3 and a molecular weight of 380.04 g/mol. Its IUPAC name is 5-bromo-N-(2-bromo-5-nitrophenyl)pentanamide.

Molecular Properties

Compound Name5-bromo-N-(2-bromo-5-nitrophenyl)pentanamide
PubChem CID114014927
Molecular FormulaC11H12Br2N2O3
Molecular Weight380.04 g/mol
Exact Mass377.92
IUPAC Name5-bromo-N-(2-bromo-5-nitrophenyl)pentanamide
SMILESO=C(CCCCBr)Nc1cc([N+](=O)[O-])ccc1Br
InChIInChI=1S/C11H12Br2N2O3/c12-6-2-1-3-11(16)14-10-7-8(15(17)18)4-5-9(10)13/h4-5,7H,1-3,6H2,(H,14,16)
InChIKeyBQAZMKULIDGVJC-UHFFFAOYSA-N
XLogP3.86
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.04
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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

N,N'-bis(2-methyl-5-nitrophenyl)nonanediamide
CID 4508002
N,N'-bis(2-fluoro-5-nitrophenyl)pentanediamide
CID 3363812
5-bromo-N-(4-hydroxy-2-nitrophenyl)pentanamide
CID 107908520
5-(2-hydroxy-5-nitroanilino)-5-oxopentanoic acid
CID 3546109
6-(2-cyano-4-nitroanilino)-6-oxohexanoic acid
CID 60941407
5-bromo-N-(6-nitro-1,3-benzothiazol-2-yl)pentanamide
CID 107908064
3-(2-bromo-5-nitroanilino)propanoic acid
CID 82316599
N-(2-chloro-5-nitrophenyl)-4-hydroxybutanamide
CID 79200872
5-bromo-N-(2,4-dimethyl-5-nitrophenyl)pentanamide
CID 103601694
5-amino-N-(2-hydroxy-4-nitrophenyl)pentanamide
CID 107744274
2-(heptanoylamino)-4-nitrobenzoic acid
CID 63110783
2-bromo-N-(2-hydroxy-5-nitrophenyl)acetamide
CID 4089912

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-bromo-5-nitrophenyl)pentanamide?
The IUPAC name of 5-bromo-N-(2-bromo-5-nitrophenyl)pentanamide (CID 114014927) is 5-bromo-N-(2-bromo-5-nitrophenyl)pentanamide.
What is the SMILES notation for 5-bromo-N-(2-bromo-5-nitrophenyl)pentanamide?
The canonical SMILES for 5-bromo-N-(2-bromo-5-nitrophenyl)pentanamide is O=C(CCCCBr)Nc1cc([N+](=O)[O-])ccc1Br.
What is the InChIKey of 5-bromo-N-(2-bromo-5-nitrophenyl)pentanamide?
The InChIKey is BQAZMKULIDGVJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Br2N2O3/c12-6-2-1-3-11(16)14-10-7-8(15(17)18)4-5-9(10)13/h4-5,7H,1-3,6H2,(H,14,16).
What are the key properties of 5-bromo-N-(2-bromo-5-nitrophenyl)pentanamide?
5-bromo-N-(2-bromo-5-nitrophenyl)pentanamide has a molecular weight of 380.04 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-bromo-5-nitrophenyl)pentanamide is sourced from PubChem (CID 114014927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).