N-(4-bromo-2-oxamoylphenyl)octanamide

C16H21BrN2O3 — CID 102529539

IUPACN-(4-bromo-2-oxamoylphenyl)octanamide
SMILESCCCCCCCC(=O)Nc1ccc(Br)cc1C(=O)C(N)=O
InChIInChI=1S/C16H21BrN2O3/c1-2-3-4-5-6-7-14(20)19-13-9-8-11(17)10-12(13)15(21)16(18)22/h8-10H,2-7H2,1H3,(H2,18,22)(H,19,20)
InChIKeyNRFVTWAPZSDAAC-UHFFFAOYSA-N
MW369.26 g/mol
LogP3.42
Rot. Bonds9

About N-(4-bromo-2-oxamoylphenyl)octanamide

N-(4-bromo-2-oxamoylphenyl)octanamide (PubChem CID 102529539) has the molecular formula C16H21BrN2O3 and a molecular weight of 369.26 g/mol. Its IUPAC name is N-(4-bromo-2-oxamoylphenyl)octanamide.

Molecular Properties

Compound NameN-(4-bromo-2-oxamoylphenyl)octanamide
PubChem CID102529539
Molecular FormulaC16H21BrN2O3
Molecular Weight369.26 g/mol
Exact Mass368.07
IUPAC NameN-(4-bromo-2-oxamoylphenyl)octanamide
SMILESCCCCCCCC(=O)Nc1ccc(Br)cc1C(=O)C(N)=O
InChIInChI=1S/C16H21BrN2O3/c1-2-3-4-5-6-7-14(20)19-13-9-8-11(17)10-12(13)15(21)16(18)22/h8-10H,2-7H2,1H3,(H2,18,22)(H,19,20)
InChIKeyNRFVTWAPZSDAAC-UHFFFAOYSA-N
XLogP3.42
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.26
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-4-bromophenyl)nonanamide
CID 65449103
N-(4-bromo-2-methylphenyl)octanamide
CID 4582485
N-(2,4-dibromophenyl)hexanamide
CID 4251482
5-bromo-2-(butanoylamino)benzamide
CID 12989236
N-[4-bromo-2-[(Z)-N'-hydroxycarbamimidoyl]phenyl]butanamide
CID 82703720
N-(5-bromo-2-methoxyphenyl)octanamide
CID 60540438
N-[5-bromo-2-(4-bromophenyl)phenyl]decanamide
CID 46193338
5-bromo-2-(butanoylamino)benzoic acid
CID 12631812
N-(3-bromophenyl)heptanamide
CID 4596383
N-[4-bromo-2-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-3-ethoxypropanamide
CID 82703946
N-(2-bromo-5-methylphenyl)decanamide
CID 82757665
N-(3-bromo-2,4-dichlorophenyl)octanamide
CID 177295929

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-oxamoylphenyl)octanamide?
The IUPAC name of N-(4-bromo-2-oxamoylphenyl)octanamide (CID 102529539) is N-(4-bromo-2-oxamoylphenyl)octanamide.
What is the SMILES notation for N-(4-bromo-2-oxamoylphenyl)octanamide?
The canonical SMILES for N-(4-bromo-2-oxamoylphenyl)octanamide is CCCCCCCC(=O)Nc1ccc(Br)cc1C(=O)C(N)=O.
What is the InChIKey of N-(4-bromo-2-oxamoylphenyl)octanamide?
The InChIKey is NRFVTWAPZSDAAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN2O3/c1-2-3-4-5-6-7-14(20)19-13-9-8-11(17)10-12(13)15(21)16(18)22/h8-10H,2-7H2,1H3,(H2,18,22)(H,19,20).
What are the key properties of N-(4-bromo-2-oxamoylphenyl)octanamide?
N-(4-bromo-2-oxamoylphenyl)octanamide has a molecular weight of 369.26 g/mol, XLogP of 3.42, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-oxamoylphenyl)octanamide is sourced from PubChem (CID 102529539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).