5-bromo-N-[3-[(5-bromo-2-butoxybenzoyl)amino]propyl]-2-butoxybenzamide

C25H32Br2N2O4 — CID 17350650

IUPAC5-bromo-N-[3-[(5-bromo-2-butoxybenzoyl)amino]propyl]-2-butoxybenzamide
SMILESCCCCOc1ccc(Br)cc1C(=O)NCCCNC(=O)c1cc(Br)ccc1OCCCC
InChIInChI=1S/C25H32Br2N2O4/c1-3-5-14-32-22-10-8-18(26)16-20(22)24(30)28-12-7-13-29-25(31)21-17-19(27)9-11-23(21)33-15-6-4-2/h8-11,16-17H,3-7,12-15H2,1-2H3,(H,28,30)(H,29,31)
InChIKeyQUPXKDHHJDOAJO-UHFFFAOYSA-N
MW584.35 g/mol
LogP6.12
Rot. Bonds14

About 5-bromo-N-[3-[(5-bromo-2-butoxybenzoyl)amino]propyl]-2-butoxybenzamide

5-bromo-N-[3-[(5-bromo-2-butoxybenzoyl)amino]propyl]-2-butoxybenzamide (PubChem CID 17350650) has the molecular formula C25H32Br2N2O4 and a molecular weight of 584.35 g/mol. Its IUPAC name is 5-bromo-N-[3-[(5-bromo-2-butoxybenzoyl)amino]propyl]-2-butoxybenzamide.

Molecular Properties

Compound Name5-bromo-N-[3-[(5-bromo-2-butoxybenzoyl)amino]propyl]-2-butoxybenzamide
PubChem CID17350650
Molecular FormulaC25H32Br2N2O4
Molecular Weight584.35 g/mol
Exact Mass582.07
IUPAC Name5-bromo-N-[3-[(5-bromo-2-butoxybenzoyl)amino]propyl]-2-butoxybenzamide
SMILESCCCCOc1ccc(Br)cc1C(=O)NCCCNC(=O)c1cc(Br)ccc1OCCCC
InChIInChI=1S/C25H32Br2N2O4/c1-3-5-14-32-22-10-8-18(26)16-20(22)24(30)28-12-7-13-29-25(31)21-17-19(27)9-11-23(21)33-15-6-4-2/h8-11,16-17H,3-7,12-15H2,1-2H3,(H,28,30)(H,29,31)
InChIKeyQUPXKDHHJDOAJO-UHFFFAOYSA-N
XLogP6.12
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.35
LogP ≤ 56.12
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-hexadecyl-2-propoxybenzamide
CID 17351360
5-bromo-N-heptyl-2-methoxybenzamide
CID 17094234
5-bromo-2-butoxy-N-[(4-methoxyphenyl)methyl]benzamide
CID 17230348
5-bromo-N-(butylcarbamothioyl)-2-propoxybenzamide
CID 17143051
4-[4-[2-[(5-bromo-2-butoxybenzoyl)amino]ethyl]phenyl]benzoic acid
CID 25271162
5-bromo-2-butoxy-N-[[2-(propylcarbamoyl)phenyl]carbamothioyl]benzamide
CID 17350516
5-bromo-N-[4-[(5-bromo-2-hexoxybenzoyl)amino]phenyl]-2-hexoxybenzamide
CID 17344071
5-bromo-N-[8-[(5-bromo-2-methoxybenzoyl)amino]octyl]-2-methoxybenzamide
CID 17233433
5-bromo-2-butoxy-N-[[4-(3-methoxypropylcarbamoyl)phenyl]carbamothioyl]benzamide
CID 17205362
5-bromo-2-butoxy-N-(4-hexoxyphenyl)benzamide
CID 17350069
N-(3-acetamidophenyl)-5-bromo-2-butoxybenzamide
CID 17189847
5-bromo-N-(butylcarbamothioyl)-2-(3-methylbutoxy)benzamide
CID 17143050

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[3-[(5-bromo-2-butoxybenzoyl)amino]propyl]-2-butoxybenzamide?
The IUPAC name of 5-bromo-N-[3-[(5-bromo-2-butoxybenzoyl)amino]propyl]-2-butoxybenzamide (CID 17350650) is 5-bromo-N-[3-[(5-bromo-2-butoxybenzoyl)amino]propyl]-2-butoxybenzamide.
What is the SMILES notation for 5-bromo-N-[3-[(5-bromo-2-butoxybenzoyl)amino]propyl]-2-butoxybenzamide?
The canonical SMILES for 5-bromo-N-[3-[(5-bromo-2-butoxybenzoyl)amino]propyl]-2-butoxybenzamide is CCCCOc1ccc(Br)cc1C(=O)NCCCNC(=O)c1cc(Br)ccc1OCCCC.
What is the InChIKey of 5-bromo-N-[3-[(5-bromo-2-butoxybenzoyl)amino]propyl]-2-butoxybenzamide?
The InChIKey is QUPXKDHHJDOAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32Br2N2O4/c1-3-5-14-32-22-10-8-18(26)16-20(22)24(30)28-12-7-13-29-25(31)21-17-19(27)9-11-23(21)33-15-6-4-2/h8-11,16-17H,3-7,12-15H2,1-2H3,(H,28,30)(H,29,31).
What are the key properties of 5-bromo-N-[3-[(5-bromo-2-butoxybenzoyl)amino]propyl]-2-butoxybenzamide?
5-bromo-N-[3-[(5-bromo-2-butoxybenzoyl)amino]propyl]-2-butoxybenzamide has a molecular weight of 584.35 g/mol, XLogP of 6.12, 14 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[3-[(5-bromo-2-butoxybenzoyl)amino]propyl]-2-butoxybenzamide is sourced from PubChem (CID 17350650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).