N-butyl-3-[[2-(2,4-dibromophenoxy)acetyl]amino]benzamide

C19H20Br2N2O3 — CID 17196920

IUPACN-butyl-3-[[2-(2,4-dibromophenoxy)acetyl]amino]benzamide
SMILESCCCCNC(=O)c1cccc(NC(=O)COc2ccc(Br)cc2Br)c1
InChIInChI=1S/C19H20Br2N2O3/c1-2-3-9-22-19(25)13-5-4-6-15(10-13)23-18(24)12-26-17-8-7-14(20)11-16(17)21/h4-8,10-11H,2-3,9,12H2,1H3,(H,22,25)(H,23,24)
InChIKeyAEGOCLAQGJOLNF-UHFFFAOYSA-N
MW484.19 g/mol
LogP4.76
Rot. Bonds8

About N-butyl-3-[[2-(2,4-dibromophenoxy)acetyl]amino]benzamide

N-butyl-3-[[2-(2,4-dibromophenoxy)acetyl]amino]benzamide (PubChem CID 17196920) has the molecular formula C19H20Br2N2O3 and a molecular weight of 484.19 g/mol. Its IUPAC name is N-butyl-3-[[2-(2,4-dibromophenoxy)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-butyl-3-[[2-(2,4-dibromophenoxy)acetyl]amino]benzamide
PubChem CID17196920
Molecular FormulaC19H20Br2N2O3
Molecular Weight484.19 g/mol
Exact Mass481.98
IUPAC NameN-butyl-3-[[2-(2,4-dibromophenoxy)acetyl]amino]benzamide
SMILESCCCCNC(=O)c1cccc(NC(=O)COc2ccc(Br)cc2Br)c1
InChIInChI=1S/C19H20Br2N2O3/c1-2-3-9-22-19(25)13-5-4-6-15(10-13)23-18(24)12-26-17-8-7-14(20)11-16(17)21/h4-8,10-11H,2-3,9,12H2,1H3,(H,22,25)(H,23,24)
InChIKeyAEGOCLAQGJOLNF-UHFFFAOYSA-N
XLogP4.76
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.19
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[[2-(2-bromo-4-butan-2-ylphenoxy)acetyl]amino]-N-butylbenzamide
CID 17197070
3-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-N-propylbenzamide
CID 17222660
3-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]-N-propylbenzamide
CID 17222636
3-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]-N-propylbenzamide
CID 17222658
3-[[2-(2,4-dibromophenoxy)acetyl]amino]-N-propan-2-ylbenzamide
CID 17197394
N-butyl-3-[[2-(2,4-dimethylphenoxy)acetyl]amino]benzamide
CID 17196875
3-bromo-N-[3-(butylcarbamoyl)phenyl]-4-ethoxybenzamide
CID 17197037
4-[[2-(2,4-dibromophenoxy)acetyl]amino]-N-propylbenzamide
CID 17218745
3-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]-N-ethylbenzamide
CID 17230671
N-butyl-3-[[2-(3,5-dimethylphenoxy)acetyl]amino]benzamide
CID 17196871
N-butyl-3-[[2-(4-methoxyphenoxy)acetyl]amino]benzamide
CID 17196943
3-[[2-(2-bromo-4-phenylphenoxy)acetyl]amino]-N-ethylbenzamide
CID 17230760

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-[[2-(2,4-dibromophenoxy)acetyl]amino]benzamide?
The IUPAC name of N-butyl-3-[[2-(2,4-dibromophenoxy)acetyl]amino]benzamide (CID 17196920) is N-butyl-3-[[2-(2,4-dibromophenoxy)acetyl]amino]benzamide.
What is the SMILES notation for N-butyl-3-[[2-(2,4-dibromophenoxy)acetyl]amino]benzamide?
The canonical SMILES for N-butyl-3-[[2-(2,4-dibromophenoxy)acetyl]amino]benzamide is CCCCNC(=O)c1cccc(NC(=O)COc2ccc(Br)cc2Br)c1.
What is the InChIKey of N-butyl-3-[[2-(2,4-dibromophenoxy)acetyl]amino]benzamide?
The InChIKey is AEGOCLAQGJOLNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Br2N2O3/c1-2-3-9-22-19(25)13-5-4-6-15(10-13)23-18(24)12-26-17-8-7-14(20)11-16(17)21/h4-8,10-11H,2-3,9,12H2,1H3,(H,22,25)(H,23,24).
What are the key properties of N-butyl-3-[[2-(2,4-dibromophenoxy)acetyl]amino]benzamide?
N-butyl-3-[[2-(2,4-dibromophenoxy)acetyl]amino]benzamide has a molecular weight of 484.19 g/mol, XLogP of 4.76, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-[[2-(2,4-dibromophenoxy)acetyl]amino]benzamide is sourced from PubChem (CID 17196920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).