2-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]-N-butylbenzamide

C23H23BrN2O3 — CID 17149335

IUPAC2-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]-N-butylbenzamide
SMILESCCCCNC(=O)c1ccccc1NC(=O)COc1ccc2ccccc2c1Br
InChIInChI=1S/C23H23BrN2O3/c1-2-3-14-25-23(28)18-10-6-7-11-19(18)26-21(27)15-29-20-13-12-16-8-4-5-9-17(16)22(20)24/h4-13H,2-3,14-15H2,1H3,(H,25,28)(H,26,27)
InChIKeyFSQQYHMGKLRIML-UHFFFAOYSA-N
MW455.35 g/mol
LogP5.15
Rot. Bonds8

About 2-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]-N-butylbenzamide

2-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]-N-butylbenzamide (PubChem CID 17149335) has the molecular formula C23H23BrN2O3 and a molecular weight of 455.35 g/mol. Its IUPAC name is 2-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]-N-butylbenzamide.

Molecular Properties

Compound Name2-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]-N-butylbenzamide
PubChem CID17149335
Molecular FormulaC23H23BrN2O3
Molecular Weight455.35 g/mol
Exact Mass454.09
IUPAC Name2-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]-N-butylbenzamide
SMILESCCCCNC(=O)c1ccccc1NC(=O)COc1ccc2ccccc2c1Br
InChIInChI=1S/C23H23BrN2O3/c1-2-3-14-25-23(28)18-10-6-7-11-19(18)26-21(27)15-29-20-13-12-16-8-4-5-9-17(16)22(20)24/h4-13H,2-3,14-15H2,1H3,(H,25,28)(H,26,27)
InChIKeyFSQQYHMGKLRIML-UHFFFAOYSA-N
XLogP5.15
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.35
LogP ≤ 55.15
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

2-(1-bromonaphthalen-2-yl)oxy-N-(butylcarbamoyl)acetamide
CID 9353794
N-(2-acetamidophenyl)-2-(1-bromonaphthalen-2-yl)oxyacetamide
CID 1300372
N-butyl-2-[[2-(4-methoxyphenoxy)acetyl]amino]benzamide
CID 17149354
2-[[2-(2-bromo-4-butan-2-ylphenoxy)acetyl]amino]-N-butylbenzamide
CID 17189631
4-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]-N-propylbenzamide
CID 17218734
2-(1-bromonaphthalen-2-yl)oxy-N-(2-methoxyphenyl)acetamide
CID 7642319
2-(1-bromonaphthalen-2-yl)oxy-N-(2-chlorophenyl)acetamide
CID 1010729
2-(1-bromonaphthalen-2-yl)oxy-N-(2,3-dimethylphenyl)acetamide
CID 1299627
2-(1-bromonaphthalen-2-yl)oxy-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]acetamide
CID 4943630
N-butyl-2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzamide
CID 100559135
N,N'-bis[2-(butylcarbamoyl)phenyl]hexanediamide
CID 17149668
methyl 3-[2-(butylcarbamoyl)anilino]-3-oxopropanoate
CID 28638069

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]-N-butylbenzamide?
The IUPAC name of 2-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]-N-butylbenzamide (CID 17149335) is 2-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]-N-butylbenzamide.
What is the SMILES notation for 2-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]-N-butylbenzamide?
The canonical SMILES for 2-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]-N-butylbenzamide is CCCCNC(=O)c1ccccc1NC(=O)COc1ccc2ccccc2c1Br.
What is the InChIKey of 2-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]-N-butylbenzamide?
The InChIKey is FSQQYHMGKLRIML-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23BrN2O3/c1-2-3-14-25-23(28)18-10-6-7-11-19(18)26-21(27)15-29-20-13-12-16-8-4-5-9-17(16)22(20)24/h4-13H,2-3,14-15H2,1H3,(H,25,28)(H,26,27).
What are the key properties of 2-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]-N-butylbenzamide?
2-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]-N-butylbenzamide has a molecular weight of 455.35 g/mol, XLogP of 5.15, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]-N-butylbenzamide is sourced from PubChem (CID 17149335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).