methyl 2-[(6-bromonaphthalen-2-yl)amino]-2-oxoacetate

C13H10BrNO3 — CID 112617488

IUPACmethyl 2-[(6-bromonaphthalen-2-yl)amino]-2-oxoacetate
SMILESCOC(=O)C(=O)Nc1ccc2cc(Br)ccc2c1
InChIInChI=1S/C13H10BrNO3/c1-18-13(17)12(16)15-11-5-3-8-6-10(14)4-2-9(8)7-11/h2-7H,1H3,(H,15,16)
InChIKeyBZIKUSLOPHECPL-UHFFFAOYSA-N
MW308.13 g/mol
LogP2.71
Rot. Bonds1

About methyl 2-[(6-bromonaphthalen-2-yl)amino]-2-oxoacetate

methyl 2-[(6-bromonaphthalen-2-yl)amino]-2-oxoacetate (PubChem CID 112617488) has the molecular formula C13H10BrNO3 and a molecular weight of 308.13 g/mol. Its IUPAC name is methyl 2-[(6-bromonaphthalen-2-yl)amino]-2-oxoacetate.

Molecular Properties

Compound Namemethyl 2-[(6-bromonaphthalen-2-yl)amino]-2-oxoacetate
PubChem CID112617488
Molecular FormulaC13H10BrNO3
Molecular Weight308.13 g/mol
Exact Mass306.98
IUPAC Namemethyl 2-[(6-bromonaphthalen-2-yl)amino]-2-oxoacetate
SMILESCOC(=O)C(=O)Nc1ccc2cc(Br)ccc2c1
InChIInChI=1S/C13H10BrNO3/c1-18-13(17)12(16)15-11-5-3-8-6-10(14)4-2-9(8)7-11/h2-7H,1H3,(H,15,16)
InChIKeyBZIKUSLOPHECPL-UHFFFAOYSA-N
XLogP2.71
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.13
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(6-bromonaphthalen-2-yl)-2,2-dimethylpropanamide
CID 81260371
methyl 2-(3-bromo-4-iodoanilino)-2-oxoacetate
CID 130499995
2-bromo-N-(6-bromonaphthalen-2-yl)butanamide
CID 81260484
N-(6-bromonaphthalen-2-yl)but-2-ynamide
CID 107987946
N-(6-bromonaphthalen-2-yl)-2-ethoxyacetamide
CID 81003546
methyl 2-(3,4-dimethylanilino)-2-oxoacetate
CID 11557524
N-(6-bromonaphthalen-2-yl)prop-2-enamide
CID 81259787
N-(6-bromonaphthalen-2-yl)-3-methylbutanamide
CID 81259381
N-(6-bromonaphthalen-2-yl)-2-methylsulfanylacetamide
CID 81003623
methyl 2-(4-bromo-2-chloroanilino)-2-oxoacetate
CID 112683071
methyl 2-[4-bromo-3-(trifluoromethyl)anilino]-2-oxoacetate
CID 112617350
2-[(6-bromonaphthalen-2-yl)carbamoylamino]-2-methylpropanoic acid
CID 81266952

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(6-bromonaphthalen-2-yl)amino]-2-oxoacetate?
The IUPAC name of methyl 2-[(6-bromonaphthalen-2-yl)amino]-2-oxoacetate (CID 112617488) is methyl 2-[(6-bromonaphthalen-2-yl)amino]-2-oxoacetate.
What is the SMILES notation for methyl 2-[(6-bromonaphthalen-2-yl)amino]-2-oxoacetate?
The canonical SMILES for methyl 2-[(6-bromonaphthalen-2-yl)amino]-2-oxoacetate is COC(=O)C(=O)Nc1ccc2cc(Br)ccc2c1.
What is the InChIKey of methyl 2-[(6-bromonaphthalen-2-yl)amino]-2-oxoacetate?
The InChIKey is BZIKUSLOPHECPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrNO3/c1-18-13(17)12(16)15-11-5-3-8-6-10(14)4-2-9(8)7-11/h2-7H,1H3,(H,15,16).
What are the key properties of methyl 2-[(6-bromonaphthalen-2-yl)amino]-2-oxoacetate?
methyl 2-[(6-bromonaphthalen-2-yl)amino]-2-oxoacetate has a molecular weight of 308.13 g/mol, XLogP of 2.71, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(6-bromonaphthalen-2-yl)amino]-2-oxoacetate is sourced from PubChem (CID 112617488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).