N-(benzylcarbamoyl)-2-(6-bromonaphthalen-2-yl)oxyacetamide

C20H17BrN2O3 — CID 7786702

IUPACN-(benzylcarbamoyl)-2-(6-bromonaphthalen-2-yl)oxyacetamide
SMILESO=C(COc1ccc2cc(Br)ccc2c1)NC(=O)NCc1ccccc1
InChIInChI=1S/C20H17BrN2O3/c21-17-8-6-16-11-18(9-7-15(16)10-17)26-13-19(24)23-20(25)22-12-14-4-2-1-3-5-14/h1-11H,12-13H2,(H2,22,23,24,25)
InChIKeyHITYKIRFZAQTFF-UHFFFAOYSA-N
MW413.27 g/mol
LogP4.01
Rot. Bonds5

About N-(benzylcarbamoyl)-2-(6-bromonaphthalen-2-yl)oxyacetamide

N-(benzylcarbamoyl)-2-(6-bromonaphthalen-2-yl)oxyacetamide (PubChem CID 7786702) has the molecular formula C20H17BrN2O3 and a molecular weight of 413.27 g/mol. Its IUPAC name is N-(benzylcarbamoyl)-2-(6-bromonaphthalen-2-yl)oxyacetamide.

Molecular Properties

Compound NameN-(benzylcarbamoyl)-2-(6-bromonaphthalen-2-yl)oxyacetamide
PubChem CID7786702
Molecular FormulaC20H17BrN2O3
Molecular Weight413.27 g/mol
Exact Mass412.04
IUPAC NameN-(benzylcarbamoyl)-2-(6-bromonaphthalen-2-yl)oxyacetamide
SMILESO=C(COc1ccc2cc(Br)ccc2c1)NC(=O)NCc1ccccc1
InChIInChI=1S/C20H17BrN2O3/c21-17-8-6-16-11-18(9-7-15(16)10-17)26-13-19(24)23-20(25)22-12-14-4-2-1-3-5-14/h1-11H,12-13H2,(H2,22,23,24,25)
InChIKeyHITYKIRFZAQTFF-UHFFFAOYSA-N
XLogP4.01
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.27
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6-bromonaphthalen-2-yl)oxy-N-[(4-chlorophenyl)methyl]acetamide
CID 7786789
[2-(benzylcarbamoylamino)-2-oxoethyl] 5-bromo-2-chlorobenzoate
CID 2092965
2-(6-bromonaphthalen-2-yl)oxy-N-[(3-sulfamoylphenyl)methyl]acetamide
CID 52681070
N-(benzylcarbamoyl)-2-naphthalen-1-yloxyacetamide
CID 7860175
2-(6-bromonaphthalen-2-yl)oxy-N-naphthalen-2-ylacetamide
CID 7786811
N-(benzylcarbamoyl)-2-[4-(4-fluorobenzoyl)phenoxy]acetamide
CID 7795142
[2-(benzylamino)-2-oxoethyl] 2-naphthalen-2-yloxyacetate
CID 2365439
N-(benzylcarbamoyl)-2-(2-fluorophenoxy)acetamide
CID 7892017
2-(6-bromonaphthalen-2-yl)oxy-N-(2-methylpropyl)acetamide
CID 3989542
2-[[2-(6-bromonaphthalen-2-yl)oxyacetyl]amino]-N-ethylacetamide
CID 9231222
2-bromo-6-phenylmethoxynaphthalene
CID 640595
N-benzyl-2-(4-bromo-2-chlorophenoxy)acetamide
CID 2906661

Frequently Asked Questions

What is the IUPAC name of N-(benzylcarbamoyl)-2-(6-bromonaphthalen-2-yl)oxyacetamide?
The IUPAC name of N-(benzylcarbamoyl)-2-(6-bromonaphthalen-2-yl)oxyacetamide (CID 7786702) is N-(benzylcarbamoyl)-2-(6-bromonaphthalen-2-yl)oxyacetamide.
What is the SMILES notation for N-(benzylcarbamoyl)-2-(6-bromonaphthalen-2-yl)oxyacetamide?
The canonical SMILES for N-(benzylcarbamoyl)-2-(6-bromonaphthalen-2-yl)oxyacetamide is O=C(COc1ccc2cc(Br)ccc2c1)NC(=O)NCc1ccccc1.
What is the InChIKey of N-(benzylcarbamoyl)-2-(6-bromonaphthalen-2-yl)oxyacetamide?
The InChIKey is HITYKIRFZAQTFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrN2O3/c21-17-8-6-16-11-18(9-7-15(16)10-17)26-13-19(24)23-20(25)22-12-14-4-2-1-3-5-14/h1-11H,12-13H2,(H2,22,23,24,25).
What are the key properties of N-(benzylcarbamoyl)-2-(6-bromonaphthalen-2-yl)oxyacetamide?
N-(benzylcarbamoyl)-2-(6-bromonaphthalen-2-yl)oxyacetamide has a molecular weight of 413.27 g/mol, XLogP of 4.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzylcarbamoyl)-2-(6-bromonaphthalen-2-yl)oxyacetamide is sourced from PubChem (CID 7786702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).