5-bromo-N-[8-[(5-bromo-2-methoxybenzoyl)amino]octyl]-2-methoxybenzamide

C24H30Br2N2O4 — CID 17233433

IUPAC5-bromo-N-[8-[(5-bromo-2-methoxybenzoyl)amino]octyl]-2-methoxybenzamide
SMILESCOc1ccc(Br)cc1C(=O)NCCCCCCCCNC(=O)c1cc(Br)ccc1OC
InChIInChI=1S/C24H30Br2N2O4/c1-31-21-11-9-17(25)15-19(21)23(29)27-13-7-5-3-4-6-8-14-28-24(30)20-16-18(26)10-12-22(20)32-2/h9-12,15-16H,3-8,13-14H2,1-2H3,(H,27,29)(H,28,30)
InChIKeyQFZYEJMYAUJWBX-UHFFFAOYSA-N
MW570.32 g/mol
LogP5.73
Rot. Bonds13

About 5-bromo-N-[8-[(5-bromo-2-methoxybenzoyl)amino]octyl]-2-methoxybenzamide

5-bromo-N-[8-[(5-bromo-2-methoxybenzoyl)amino]octyl]-2-methoxybenzamide (PubChem CID 17233433) has the molecular formula C24H30Br2N2O4 and a molecular weight of 570.32 g/mol. Its IUPAC name is 5-bromo-N-[8-[(5-bromo-2-methoxybenzoyl)amino]octyl]-2-methoxybenzamide.

Molecular Properties

Compound Name5-bromo-N-[8-[(5-bromo-2-methoxybenzoyl)amino]octyl]-2-methoxybenzamide
PubChem CID17233433
Molecular FormulaC24H30Br2N2O4
Molecular Weight570.32 g/mol
Exact Mass568.06
IUPAC Name5-bromo-N-[8-[(5-bromo-2-methoxybenzoyl)amino]octyl]-2-methoxybenzamide
SMILESCOc1ccc(Br)cc1C(=O)NCCCCCCCCNC(=O)c1cc(Br)ccc1OC
InChIInChI=1S/C24H30Br2N2O4/c1-31-21-11-9-17(25)15-19(21)23(29)27-13-7-5-3-4-6-8-14-28-24(30)20-16-18(26)10-12-22(20)32-2/h9-12,15-16H,3-8,13-14H2,1-2H3,(H,27,29)(H,28,30)
InChIKeyQFZYEJMYAUJWBX-UHFFFAOYSA-N
XLogP5.73
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.32
LogP ≤ 55.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-heptyl-2-methoxybenzamide
CID 17094234
methyl 4-[(5-bromo-2-methoxybenzoyl)amino]butanoate
CID 113241279
5-bromo-N-[3-(4-hydroxyphenyl)propyl]-2-methoxybenzamide
CID 110611985
5-bromo-2-methoxy-N-(2-phenylethyl)benzamide
CID 17094208
5-bromo-N-hexadecyl-2-propoxybenzamide
CID 17351360
N-(4-bromobutyl)-2-methoxy-5-methylbenzamide
CID 106846001
5-bromo-N-[3-[(5-bromo-2-butoxybenzoyl)amino]propyl]-2-butoxybenzamide
CID 17350650
5-bromo-N-[2-[2-(diethylamino)ethoxy]ethyl]-2-methoxybenzamide
CID 110612673
5-chloro-N-hexyl-2-methoxybenzamide
CID 4106403
5-bromo-N-(3-hydroxy-2-methylpropyl)-2-methoxybenzamide
CID 113278453
N-(4-hydroxybutyl)-2,5-dimethoxybenzamide
CID 106843793
5-bromo-2-methoxy-N'-methylbenzohydrazide
CID 116846857

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[8-[(5-bromo-2-methoxybenzoyl)amino]octyl]-2-methoxybenzamide?
The IUPAC name of 5-bromo-N-[8-[(5-bromo-2-methoxybenzoyl)amino]octyl]-2-methoxybenzamide (CID 17233433) is 5-bromo-N-[8-[(5-bromo-2-methoxybenzoyl)amino]octyl]-2-methoxybenzamide.
What is the SMILES notation for 5-bromo-N-[8-[(5-bromo-2-methoxybenzoyl)amino]octyl]-2-methoxybenzamide?
The canonical SMILES for 5-bromo-N-[8-[(5-bromo-2-methoxybenzoyl)amino]octyl]-2-methoxybenzamide is COc1ccc(Br)cc1C(=O)NCCCCCCCCNC(=O)c1cc(Br)ccc1OC.
What is the InChIKey of 5-bromo-N-[8-[(5-bromo-2-methoxybenzoyl)amino]octyl]-2-methoxybenzamide?
The InChIKey is QFZYEJMYAUJWBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30Br2N2O4/c1-31-21-11-9-17(25)15-19(21)23(29)27-13-7-5-3-4-6-8-14-28-24(30)20-16-18(26)10-12-22(20)32-2/h9-12,15-16H,3-8,13-14H2,1-2H3,(H,27,29)(H,28,30).
What are the key properties of 5-bromo-N-[8-[(5-bromo-2-methoxybenzoyl)amino]octyl]-2-methoxybenzamide?
5-bromo-N-[8-[(5-bromo-2-methoxybenzoyl)amino]octyl]-2-methoxybenzamide has a molecular weight of 570.32 g/mol, XLogP of 5.73, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[8-[(5-bromo-2-methoxybenzoyl)amino]octyl]-2-methoxybenzamide is sourced from PubChem (CID 17233433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).