5-bromo-N-(4-ethyl-3-nitrophenyl)pentanamide

C13H17BrN2O3 — CID 114014780

IUPAC5-bromo-N-(4-ethyl-3-nitrophenyl)pentanamide
SMILESCCc1ccc(NC(=O)CCCCBr)cc1[N+](=O)[O-]
InChIInChI=1S/C13H17BrN2O3/c1-2-10-6-7-11(9-12(10)16(18)19)15-13(17)5-3-4-8-14/h6-7,9H,2-5,8H2,1H3,(H,15,17)
InChIKeyIOONZULTZYSFGI-UHFFFAOYSA-N
MW329.19 g/mol
LogP3.66
Rot. Bonds7

About 5-bromo-N-(4-ethyl-3-nitrophenyl)pentanamide

5-bromo-N-(4-ethyl-3-nitrophenyl)pentanamide (PubChem CID 114014780) has the molecular formula C13H17BrN2O3 and a molecular weight of 329.19 g/mol. Its IUPAC name is 5-bromo-N-(4-ethyl-3-nitrophenyl)pentanamide.

Molecular Properties

Compound Name5-bromo-N-(4-ethyl-3-nitrophenyl)pentanamide
PubChem CID114014780
Molecular FormulaC13H17BrN2O3
Molecular Weight329.19 g/mol
Exact Mass328.04
IUPAC Name5-bromo-N-(4-ethyl-3-nitrophenyl)pentanamide
SMILESCCc1ccc(NC(=O)CCCCBr)cc1[N+](=O)[O-]
InChIInChI=1S/C13H17BrN2O3/c1-2-10-6-7-11(9-12(10)16(18)19)15-13(17)5-3-4-8-14/h6-7,9H,2-5,8H2,1H3,(H,15,17)
InChIKeyIOONZULTZYSFGI-UHFFFAOYSA-N
XLogP3.66
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.19
LogP ≤ 53.66
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-(4-ethyl-3-nitrophenyl)-5-hydroxypentanamide
CID 79199585
N-(4-ethyl-3-nitrophenyl)-4-hydroxybutanamide
CID 79204865
N-(4-ethyl-3-nitrophenyl)-5-oxo-5-phenylpentanamide
CID 108796232
4-bromo-N-(4-ethyl-3-nitrophenyl)benzamide
CID 60739029
N-(4-amino-3-nitrophenyl)hexadecanamide
CID 71443748
N,N'-bis(4-chloro-3-nitrophenyl)decanediamide
CID 17080083
6-(4-bromo-3-nitroanilino)-6-oxohexanoic acid
CID 79767512
3-bromo-N-(4-ethyl-3-nitrophenyl)benzamide
CID 34655216
N-[4-nitro-3-(octanoylamino)phenyl]octanamide
CID 3518241
N-(4-ethyl-3-nitrophenyl)cyclopentanecarboxamide
CID 34655093
(3-nitro-4-propylphenyl)carbamic acid
CID 67247767
N,N'-bis(4-fluoro-3-nitrophenyl)pentanediamide
CID 4303961

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-ethyl-3-nitrophenyl)pentanamide?
The IUPAC name of 5-bromo-N-(4-ethyl-3-nitrophenyl)pentanamide (CID 114014780) is 5-bromo-N-(4-ethyl-3-nitrophenyl)pentanamide.
What is the SMILES notation for 5-bromo-N-(4-ethyl-3-nitrophenyl)pentanamide?
The canonical SMILES for 5-bromo-N-(4-ethyl-3-nitrophenyl)pentanamide is CCc1ccc(NC(=O)CCCCBr)cc1[N+](=O)[O-].
What is the InChIKey of 5-bromo-N-(4-ethyl-3-nitrophenyl)pentanamide?
The InChIKey is IOONZULTZYSFGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O3/c1-2-10-6-7-11(9-12(10)16(18)19)15-13(17)5-3-4-8-14/h6-7,9H,2-5,8H2,1H3,(H,15,17).
What are the key properties of 5-bromo-N-(4-ethyl-3-nitrophenyl)pentanamide?
5-bromo-N-(4-ethyl-3-nitrophenyl)pentanamide has a molecular weight of 329.19 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4-ethyl-3-nitrophenyl)pentanamide is sourced from PubChem (CID 114014780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).