methyl 2-[(2-bromoacetyl)amino]-4,6-dichlorobenzoate

C10H8BrCl2NO3 — CID 22364769

IUPACmethyl 2-[(2-bromoacetyl)amino]-4,6-dichlorobenzoate
SMILESCOC(=O)c1c(Cl)cc(Cl)cc1NC(=O)CBr
InChIInChI=1S/C10H8BrCl2NO3/c1-17-10(16)9-6(13)2-5(12)3-7(9)14-8(15)4-11/h2-3H,4H2,1H3,(H,14,15)
InChIKeySJFWLNJHKFBSMW-UHFFFAOYSA-N
MW340.99 g/mol
LogP3.11
Rot. Bonds3

About methyl 2-[(2-bromoacetyl)amino]-4,6-dichlorobenzoate

methyl 2-[(2-bromoacetyl)amino]-4,6-dichlorobenzoate (PubChem CID 22364769) has the molecular formula C10H8BrCl2NO3 and a molecular weight of 340.99 g/mol. Its IUPAC name is methyl 2-[(2-bromoacetyl)amino]-4,6-dichlorobenzoate.

Molecular Properties

Compound Namemethyl 2-[(2-bromoacetyl)amino]-4,6-dichlorobenzoate
PubChem CID22364769
Molecular FormulaC10H8BrCl2NO3
Molecular Weight340.99 g/mol
Exact Mass338.91
IUPAC Namemethyl 2-[(2-bromoacetyl)amino]-4,6-dichlorobenzoate
SMILESCOC(=O)c1c(Cl)cc(Cl)cc1NC(=O)CBr
InChIInChI=1S/C10H8BrCl2NO3/c1-17-10(16)9-6(13)2-5(12)3-7(9)14-8(15)4-11/h2-3H,4H2,1H3,(H,14,15)
InChIKeySJFWLNJHKFBSMW-UHFFFAOYSA-N
XLogP3.11
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.99
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-[(2-bromoacetyl)amino]-5-chloro-2-hydroxybenzoate
CID 134990934
methyl 2,4-dichloro-6-(2-phenylpropanoylamino)benzoate
CID 68817719
methyl 2,4-dichloro-6-[[2-[3-(2-fluorophenyl)propylsulfanyl]acetyl]amino]benzoate
CID 67726333
methyl 2,4-dichloro-6-[[2-(1,2,3,4-tetrahydronaphthalen-2-ylmethylsulfanyl)acetyl]amino]benzoate
CID 56982721
methyl 2,4-dichloro-6-(2-phenylpropanoylamino)benzoate;2-phenylpropanoic acid
CID 157481591
methyl 4-chloro-2,6-diiodobenzoate
CID 130775245
2-bromo-N-(2-chloro-5-methylphenyl)acetamide
CID 82111012
2-bromo-N-(4-chloro-2-iodophenyl)acetamide
CID 107624932
2-bromo-N-(2-chloro-4-methylphenyl)acetamide
CID 63678891
2-bromo-N-(2-bromo-5-chloro-3-pyridinyl)acetamide
CID 130535402
methyl 2,6-dichloro-4-(hydroxymethyl)benzoate
CID 66712920
N-(3-bromo-5-chloro-2-methoxyphenyl)-2-(methylamino)acetamide
CID 43704379

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-bromoacetyl)amino]-4,6-dichlorobenzoate?
The IUPAC name of methyl 2-[(2-bromoacetyl)amino]-4,6-dichlorobenzoate (CID 22364769) is methyl 2-[(2-bromoacetyl)amino]-4,6-dichlorobenzoate.
What is the SMILES notation for methyl 2-[(2-bromoacetyl)amino]-4,6-dichlorobenzoate?
The canonical SMILES for methyl 2-[(2-bromoacetyl)amino]-4,6-dichlorobenzoate is COC(=O)c1c(Cl)cc(Cl)cc1NC(=O)CBr.
What is the InChIKey of methyl 2-[(2-bromoacetyl)amino]-4,6-dichlorobenzoate?
The InChIKey is SJFWLNJHKFBSMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrCl2NO3/c1-17-10(16)9-6(13)2-5(12)3-7(9)14-8(15)4-11/h2-3H,4H2,1H3,(H,14,15).
What are the key properties of methyl 2-[(2-bromoacetyl)amino]-4,6-dichlorobenzoate?
methyl 2-[(2-bromoacetyl)amino]-4,6-dichlorobenzoate has a molecular weight of 340.99 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-bromoacetyl)amino]-4,6-dichlorobenzoate is sourced from PubChem (CID 22364769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).