methyl 2-[[3-[[2-(6-bromonaphthalen-2-yl)oxyacetyl]amino]benzoyl]amino]acetate

C22H19BrN2O5 — CID 55779558

IUPACmethyl 2-[[3-[[2-(6-bromonaphthalen-2-yl)oxyacetyl]amino]benzoyl]amino]acetate
SMILESCOC(=O)CNC(=O)c1cccc(NC(=O)COc2ccc3cc(Br)ccc3c2)c1
InChIInChI=1S/C22H19BrN2O5/c1-29-21(27)12-24-22(28)16-3-2-4-18(10-16)25-20(26)13-30-19-8-6-14-9-17(23)7-5-15(14)11-19/h2-11H,12-13H2,1H3,(H,24,28)(H,25,26)
InChIKeyKOZSRWAUNWHVBV-UHFFFAOYSA-N
MW471.31 g/mol
LogP3.52
Rot. Bonds7

About methyl 2-[[3-[[2-(6-bromonaphthalen-2-yl)oxyacetyl]amino]benzoyl]amino]acetate

methyl 2-[[3-[[2-(6-bromonaphthalen-2-yl)oxyacetyl]amino]benzoyl]amino]acetate (PubChem CID 55779558) has the molecular formula C22H19BrN2O5 and a molecular weight of 471.31 g/mol. Its IUPAC name is methyl 2-[[3-[[2-(6-bromonaphthalen-2-yl)oxyacetyl]amino]benzoyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[3-[[2-(6-bromonaphthalen-2-yl)oxyacetyl]amino]benzoyl]amino]acetate
PubChem CID55779558
Molecular FormulaC22H19BrN2O5
Molecular Weight471.31 g/mol
Exact Mass470.05
IUPAC Namemethyl 2-[[3-[[2-(6-bromonaphthalen-2-yl)oxyacetyl]amino]benzoyl]amino]acetate
SMILESCOC(=O)CNC(=O)c1cccc(NC(=O)COc2ccc3cc(Br)ccc3c2)c1
InChIInChI=1S/C22H19BrN2O5/c1-29-21(27)12-24-22(28)16-3-2-4-18(10-16)25-20(26)13-30-19-8-6-14-9-17(23)7-5-15(14)11-19/h2-11H,12-13H2,1H3,(H,24,28)(H,25,26)
InChIKeyKOZSRWAUNWHVBV-UHFFFAOYSA-N
XLogP3.52
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.31
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 2-[[3-[[2-(6-bromonaphthalen-2-yl)oxyacetyl]amino]benzoyl]amino]acetate with MolForge

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Related Compounds

3-[[2-(6-bromonaphthalen-2-yl)oxyacetyl]amino]-N,N-dimethylbenzamide
CID 29464616
methyl 2-[[3-[[2-(4-propoxyphenoxy)acetyl]amino]benzoyl]amino]acetate
CID 55750199
N-ethyl-3-[(2-naphthalen-2-yloxyacetyl)amino]benzamide
CID 17230651
2-(6-bromonaphthalen-2-yl)oxy-N-naphthalen-2-ylacetamide
CID 7786811
2-(4-bromophenoxy)-N-(3-bromophenyl)acetamide
CID 2631877
2-(6-bromonaphthalen-2-yl)oxy-N-(3,5-dimethylphenyl)acetamide
CID 7786804
3-[[2-(3-bromophenoxy)acetyl]amino]-N,N-diethylbenzamide
CID 27875323
N-butyl-3-[[2-(4-methoxyphenoxy)acetyl]amino]benzamide
CID 17196943
methyl 2-[[3-[[3-(4-bromophenyl)-1H-pyrazole-5-carbonyl]amino]benzoyl]amino]acetate
CID 55848355
3-[(2-naphthalen-2-yloxyacetyl)amino]benzoate
CID 6967346
methyl 2-[[3-(octanoylamino)benzoyl]amino]acetate
CID 60513877
methyl 2-[[4-[[2-(4-ethoxyphenoxy)acetyl]amino]benzoyl]amino]acetate
CID 46637026

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[3-[[2-(6-bromonaphthalen-2-yl)oxyacetyl]amino]benzoyl]amino]acetate?
The IUPAC name of methyl 2-[[3-[[2-(6-bromonaphthalen-2-yl)oxyacetyl]amino]benzoyl]amino]acetate (CID 55779558) is methyl 2-[[3-[[2-(6-bromonaphthalen-2-yl)oxyacetyl]amino]benzoyl]amino]acetate.
What is the SMILES notation for methyl 2-[[3-[[2-(6-bromonaphthalen-2-yl)oxyacetyl]amino]benzoyl]amino]acetate?
The canonical SMILES for methyl 2-[[3-[[2-(6-bromonaphthalen-2-yl)oxyacetyl]amino]benzoyl]amino]acetate is COC(=O)CNC(=O)c1cccc(NC(=O)COc2ccc3cc(Br)ccc3c2)c1.
What is the InChIKey of methyl 2-[[3-[[2-(6-bromonaphthalen-2-yl)oxyacetyl]amino]benzoyl]amino]acetate?
The InChIKey is KOZSRWAUNWHVBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19BrN2O5/c1-29-21(27)12-24-22(28)16-3-2-4-18(10-16)25-20(26)13-30-19-8-6-14-9-17(23)7-5-15(14)11-19/h2-11H,12-13H2,1H3,(H,24,28)(H,25,26).
What are the key properties of methyl 2-[[3-[[2-(6-bromonaphthalen-2-yl)oxyacetyl]amino]benzoyl]amino]acetate?
methyl 2-[[3-[[2-(6-bromonaphthalen-2-yl)oxyacetyl]amino]benzoyl]amino]acetate has a molecular weight of 471.31 g/mol, XLogP of 3.52, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[3-[[2-(6-bromonaphthalen-2-yl)oxyacetyl]amino]benzoyl]amino]acetate is sourced from PubChem (CID 55779558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).