N-(3-bromo-4-nitrophenyl)-5-hydroxypentanamide

C11H13BrN2O4 — CID 82865508

IUPACN-(3-bromo-4-nitrophenyl)-5-hydroxypentanamide
SMILESO=C(CCCCO)Nc1ccc([N+](=O)[O-])c(Br)c1
InChIInChI=1S/C11H13BrN2O4/c12-9-7-8(4-5-10(9)14(17)18)13-11(16)3-1-2-6-15/h4-5,7,15H,1-3,6H2,(H,13,16)
InChIKeyOGOKMJVNFBTMLR-UHFFFAOYSA-N
MW317.14 g/mol
LogP2.46
Rot. Bonds6

About N-(3-bromo-4-nitrophenyl)-5-hydroxypentanamide

N-(3-bromo-4-nitrophenyl)-5-hydroxypentanamide (PubChem CID 82865508) has the molecular formula C11H13BrN2O4 and a molecular weight of 317.14 g/mol. Its IUPAC name is N-(3-bromo-4-nitrophenyl)-5-hydroxypentanamide.

Molecular Properties

Compound NameN-(3-bromo-4-nitrophenyl)-5-hydroxypentanamide
PubChem CID82865508
Molecular FormulaC11H13BrN2O4
Molecular Weight317.14 g/mol
Exact Mass316.01
IUPAC NameN-(3-bromo-4-nitrophenyl)-5-hydroxypentanamide
SMILESO=C(CCCCO)Nc1ccc([N+](=O)[O-])c(Br)c1
InChIInChI=1S/C11H13BrN2O4/c12-9-7-8(4-5-10(9)14(17)18)13-11(16)3-1-2-6-15/h4-5,7,15H,1-3,6H2,(H,13,16)
InChIKeyOGOKMJVNFBTMLR-UHFFFAOYSA-N
XLogP2.46
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 ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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

6-(3-bromo-4-nitroanilino)-6-oxohexanoic acid
CID 82861673
N-(3-bromo-4-nitrophenyl)-5-chloropentanamide
CID 82864603
N-(4-fluoro-3-nitrophenyl)-5-hydroxypentanamide
CID 79198639
6-(4-bromo-3-nitroanilino)-6-oxohexanoic acid
CID 79767512
N-(4-ethyl-3-nitrophenyl)-5-hydroxypentanamide
CID 79199585
N-(3-bromo-4-nitrophenyl)-2-methylsulfanylacetamide
CID 75446808
N-(4-ethyl-3-nitrophenyl)-4-hydroxybutanamide
CID 79204865
N-[4-nitro-3-(octanoylamino)phenyl]octanamide
CID 3518241
N-(3-bromo-4-nitrophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112605620
N,N'-bis(4-chloro-3-nitrophenyl)decanediamide
CID 17080083
3-amino-N-(3-bromo-4-nitrophenyl)-4,4-dimethylpentanamide
CID 82864988
N,N'-bis(4-fluoro-3-nitrophenyl)pentanediamide
CID 4303961

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-nitrophenyl)-5-hydroxypentanamide?
The IUPAC name of N-(3-bromo-4-nitrophenyl)-5-hydroxypentanamide (CID 82865508) is N-(3-bromo-4-nitrophenyl)-5-hydroxypentanamide.
What is the SMILES notation for N-(3-bromo-4-nitrophenyl)-5-hydroxypentanamide?
The canonical SMILES for N-(3-bromo-4-nitrophenyl)-5-hydroxypentanamide is O=C(CCCCO)Nc1ccc([N+](=O)[O-])c(Br)c1.
What is the InChIKey of N-(3-bromo-4-nitrophenyl)-5-hydroxypentanamide?
The InChIKey is OGOKMJVNFBTMLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O4/c12-9-7-8(4-5-10(9)14(17)18)13-11(16)3-1-2-6-15/h4-5,7,15H,1-3,6H2,(H,13,16).
What are the key properties of N-(3-bromo-4-nitrophenyl)-5-hydroxypentanamide?
N-(3-bromo-4-nitrophenyl)-5-hydroxypentanamide has a molecular weight of 317.14 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-nitrophenyl)-5-hydroxypentanamide is sourced from PubChem (CID 82865508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).