5-bromo-N-(4-hydroxy-2-nitrophenyl)pentanamide

C11H13BrN2O4 — CID 107908520

IUPAC5-bromo-N-(4-hydroxy-2-nitrophenyl)pentanamide
SMILESO=C(CCCCBr)Nc1ccc(O)cc1[N+](=O)[O-]
InChIInChI=1S/C11H13BrN2O4/c12-6-2-1-3-11(16)13-9-5-4-8(15)7-10(9)14(17)18/h4-5,7,15H,1-3,6H2,(H,13,16)
InChIKeyMGRBLFJSEQKVKM-UHFFFAOYSA-N
MW317.14 g/mol
LogP2.80
Rot. Bonds6

About 5-bromo-N-(4-hydroxy-2-nitrophenyl)pentanamide

5-bromo-N-(4-hydroxy-2-nitrophenyl)pentanamide (PubChem CID 107908520) has the molecular formula C11H13BrN2O4 and a molecular weight of 317.14 g/mol. Its IUPAC name is 5-bromo-N-(4-hydroxy-2-nitrophenyl)pentanamide.

Molecular Properties

Compound Name5-bromo-N-(4-hydroxy-2-nitrophenyl)pentanamide
PubChem CID107908520
Molecular FormulaC11H13BrN2O4
Molecular Weight317.14 g/mol
Exact Mass316.01
IUPAC Name5-bromo-N-(4-hydroxy-2-nitrophenyl)pentanamide
SMILESO=C(CCCCBr)Nc1ccc(O)cc1[N+](=O)[O-]
InChIInChI=1S/C11H13BrN2O4/c12-6-2-1-3-11(16)13-9-5-4-8(15)7-10(9)14(17)18/h4-5,7,15H,1-3,6H2,(H,13,16)
InChIKeyMGRBLFJSEQKVKM-UHFFFAOYSA-N
XLogP2.80
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.14
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

3-(ethylamino)-N-(4-hydroxy-2-nitrophenyl)propanamide
CID 62832870
6-bromo-N-(4-nitronaphthalen-1-yl)hexanamide
CID 58925290
5-bromo-N-(2,4-dimethyl-5-nitrophenyl)pentanamide
CID 103601694
N,N'-bis(4-methyl-2-nitrophenyl)pentanediamide
CID 4123173
2-(2-aminoethoxy)-N-(4-hydroxy-2-nitrophenyl)acetamide
CID 79473716
N-(4-hydroxy-2-nitrophenyl)-2-propoxyacetamide
CID 114018733
5-bromo-N-(2-bromo-5-nitrophenyl)pentanamide
CID 114014927
4-(4-hydroxybutanoylamino)-3-nitrobenzoic acid
CID 110480298
4-bromo-N-(4-hydroxy-2-nitrophenyl)benzamide
CID 60954513
N,N'-bis(4-ethoxy-2-nitrophenyl)hexanediamide
CID 5235455
N-(4-hydroxy-2-nitrophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604610
5-bromo-N-(4-ethyl-3-nitrophenyl)pentanamide
CID 114014780

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-hydroxy-2-nitrophenyl)pentanamide?
The IUPAC name of 5-bromo-N-(4-hydroxy-2-nitrophenyl)pentanamide (CID 107908520) is 5-bromo-N-(4-hydroxy-2-nitrophenyl)pentanamide.
What is the SMILES notation for 5-bromo-N-(4-hydroxy-2-nitrophenyl)pentanamide?
The canonical SMILES for 5-bromo-N-(4-hydroxy-2-nitrophenyl)pentanamide is O=C(CCCCBr)Nc1ccc(O)cc1[N+](=O)[O-].
What is the InChIKey of 5-bromo-N-(4-hydroxy-2-nitrophenyl)pentanamide?
The InChIKey is MGRBLFJSEQKVKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O4/c12-6-2-1-3-11(16)13-9-5-4-8(15)7-10(9)14(17)18/h4-5,7,15H,1-3,6H2,(H,13,16).
What are the key properties of 5-bromo-N-(4-hydroxy-2-nitrophenyl)pentanamide?
5-bromo-N-(4-hydroxy-2-nitrophenyl)pentanamide has a molecular weight of 317.14 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4-hydroxy-2-nitrophenyl)pentanamide is sourced from PubChem (CID 107908520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).