3-bromo-N-[8-[(3-bromo-4-ethoxybenzoyl)amino]octyl]-4-ethoxybenzamide

C26H34Br2N2O4 — CID 17233431

IUPAC3-bromo-N-[8-[(3-bromo-4-ethoxybenzoyl)amino]octyl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)NCCCCCCCCNC(=O)c2ccc(OCC)c(Br)c2)cc1Br
InChIInChI=1S/C26H34Br2N2O4/c1-3-33-23-13-11-19(17-21(23)27)25(31)29-15-9-7-5-6-8-10-16-30-26(32)20-12-14-24(34-4-2)22(28)18-20/h11-14,17-18H,3-10,15-16H2,1-2H3,(H,29,31)(H,30,32)
InChIKeyXELNTEAPOSPMSP-UHFFFAOYSA-N
MW598.38 g/mol
LogP6.51
Rot. Bonds15

About 3-bromo-N-[8-[(3-bromo-4-ethoxybenzoyl)amino]octyl]-4-ethoxybenzamide

3-bromo-N-[8-[(3-bromo-4-ethoxybenzoyl)amino]octyl]-4-ethoxybenzamide (PubChem CID 17233431) has the molecular formula C26H34Br2N2O4 and a molecular weight of 598.38 g/mol. Its IUPAC name is 3-bromo-N-[8-[(3-bromo-4-ethoxybenzoyl)amino]octyl]-4-ethoxybenzamide.

Molecular Properties

Compound Name3-bromo-N-[8-[(3-bromo-4-ethoxybenzoyl)amino]octyl]-4-ethoxybenzamide
PubChem CID17233431
Molecular FormulaC26H34Br2N2O4
Molecular Weight598.38 g/mol
Exact Mass596.09
IUPAC Name3-bromo-N-[8-[(3-bromo-4-ethoxybenzoyl)amino]octyl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)NCCCCCCCCNC(=O)c2ccc(OCC)c(Br)c2)cc1Br
InChIInChI=1S/C26H34Br2N2O4/c1-3-33-23-13-11-19(17-21(23)27)25(31)29-15-9-7-5-6-8-10-16-30-26(32)20-12-14-24(34-4-2)22(28)18-20/h11-14,17-18H,3-10,15-16H2,1-2H3,(H,29,31)(H,30,32)
InChIKeyXELNTEAPOSPMSP-UHFFFAOYSA-N
XLogP6.51
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.38
LogP ≤ 56.51
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

3-bromo-N-butyl-4-ethoxybenzamide
CID 17142993
3,4-diethoxy-N-(5-hydroxypentyl)benzamide
CID 107319057
3-bromo-N-[3-(butylcarbamoyl)phenyl]-4-ethoxybenzamide
CID 17197037
3-bromo-4-methoxy-N-pentylbenzamide
CID 60660286
3-ethoxy-N-(5-hydroxypentyl)-4-methoxybenzamide
CID 107319012
3-amino-4-ethoxy-N-hexylbenzamide
CID 61112297
3-bromo-N-[6-[[3-bromo-4-(2-phenylethoxy)benzoyl]amino]hexyl]-4-(2-phenylethoxy)benzamide
CID 17073272
N-[3-[3-[benzyl(methyl)amino]propyl-methylamino]propyl]-3-bromo-4-ethoxybenzamide;dihydrochloride
CID 164946819
3-chloro-4-ethoxy-N-(3-hydroxypropyl)benzamide
CID 98016868
3-bromo-N-[2-[(3-bromo-4-methoxybenzoyl)amino]ethyl]-4-methoxybenzamide
CID 5120217
3-bromo-N-(3-bromopropyl)-4-methoxybenzamide
CID 61033584
3-bromo-4-ethoxy-N'-(4-methylbenzoyl)benzohydrazide
CID 17073866

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[8-[(3-bromo-4-ethoxybenzoyl)amino]octyl]-4-ethoxybenzamide?
The IUPAC name of 3-bromo-N-[8-[(3-bromo-4-ethoxybenzoyl)amino]octyl]-4-ethoxybenzamide (CID 17233431) is 3-bromo-N-[8-[(3-bromo-4-ethoxybenzoyl)amino]octyl]-4-ethoxybenzamide.
What is the SMILES notation for 3-bromo-N-[8-[(3-bromo-4-ethoxybenzoyl)amino]octyl]-4-ethoxybenzamide?
The canonical SMILES for 3-bromo-N-[8-[(3-bromo-4-ethoxybenzoyl)amino]octyl]-4-ethoxybenzamide is CCOc1ccc(C(=O)NCCCCCCCCNC(=O)c2ccc(OCC)c(Br)c2)cc1Br.
What is the InChIKey of 3-bromo-N-[8-[(3-bromo-4-ethoxybenzoyl)amino]octyl]-4-ethoxybenzamide?
The InChIKey is XELNTEAPOSPMSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34Br2N2O4/c1-3-33-23-13-11-19(17-21(23)27)25(31)29-15-9-7-5-6-8-10-16-30-26(32)20-12-14-24(34-4-2)22(28)18-20/h11-14,17-18H,3-10,15-16H2,1-2H3,(H,29,31)(H,30,32).
What are the key properties of 3-bromo-N-[8-[(3-bromo-4-ethoxybenzoyl)amino]octyl]-4-ethoxybenzamide?
3-bromo-N-[8-[(3-bromo-4-ethoxybenzoyl)amino]octyl]-4-ethoxybenzamide has a molecular weight of 598.38 g/mol, XLogP of 6.51, 15 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[8-[(3-bromo-4-ethoxybenzoyl)amino]octyl]-4-ethoxybenzamide is sourced from PubChem (CID 17233431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).