methyl 5-bromo-2-[(2-bromobenzoyl)amino]benzoate

C15H11Br2NO3 — CID 19168688

IUPACmethyl 5-bromo-2-[(2-bromobenzoyl)amino]benzoate
SMILESCOC(=O)c1cc(Br)ccc1NC(=O)c1ccccc1Br
InChIInChI=1S/C15H11Br2NO3/c1-21-15(20)11-8-9(16)6-7-13(11)18-14(19)10-4-2-3-5-12(10)17/h2-8H,1H3,(H,18,19)
InChIKeyOMLJEHRFZVKQCJ-UHFFFAOYSA-N
MW413.07 g/mol
LogP4.25
Rot. Bonds3

About methyl 5-bromo-2-[(2-bromobenzoyl)amino]benzoate

methyl 5-bromo-2-[(2-bromobenzoyl)amino]benzoate (PubChem CID 19168688) has the molecular formula C15H11Br2NO3 and a molecular weight of 413.07 g/mol. Its IUPAC name is methyl 5-bromo-2-[(2-bromobenzoyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 5-bromo-2-[(2-bromobenzoyl)amino]benzoate
PubChem CID19168688
Molecular FormulaC15H11Br2NO3
Molecular Weight413.07 g/mol
Exact Mass410.91
IUPAC Namemethyl 5-bromo-2-[(2-bromobenzoyl)amino]benzoate
SMILESCOC(=O)c1cc(Br)ccc1NC(=O)c1ccccc1Br
InChIInChI=1S/C15H11Br2NO3/c1-21-15(20)11-8-9(16)6-7-13(11)18-14(19)10-4-2-3-5-12(10)17/h2-8H,1H3,(H,18,19)
InChIKeyOMLJEHRFZVKQCJ-UHFFFAOYSA-N
XLogP4.25
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.07
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[(2-bromobenzoyl)amino]benzoate
CID 723592
methyl 3-[(2-bromobenzoyl)amino]-2-hydroxybenzoate
CID 108768060
methyl 4-[(2-bromobenzoyl)amino]-3-hydroxybenzoate
CID 108767103
methyl 5-bromo-2-(phenylcarbamoylamino)benzoate
CID 939786
2,5-dibromo-N-(2-bromophenyl)benzamide
CID 57379653
methyl 2-[(2-bromo-4-chlorobenzoyl)amino]benzoate
CID 103763170
methyl 2-[(5-bromo-1-benzofuran-2-carbonyl)amino]benzoate
CID 19225311
2-bromo-N-(2-methoxyphenyl)benzamide
CID 676344
2-[(2-bromobenzoyl)amino]-N-(4-bromophenyl)benzamide
CID 55358520
methyl 5-bromo-2-(ethylcarbamoylamino)benzoate
CID 799287
2-bromo-N-(2-bromo-4-ethylphenyl)benzamide
CID 53268216
methyl 2-[[2-[(2-bromobenzoyl)amino]acetyl]amino]benzoate
CID 112999796

Frequently Asked Questions

What is the IUPAC name of methyl 5-bromo-2-[(2-bromobenzoyl)amino]benzoate?
The IUPAC name of methyl 5-bromo-2-[(2-bromobenzoyl)amino]benzoate (CID 19168688) is methyl 5-bromo-2-[(2-bromobenzoyl)amino]benzoate.
What is the SMILES notation for methyl 5-bromo-2-[(2-bromobenzoyl)amino]benzoate?
The canonical SMILES for methyl 5-bromo-2-[(2-bromobenzoyl)amino]benzoate is COC(=O)c1cc(Br)ccc1NC(=O)c1ccccc1Br.
What is the InChIKey of methyl 5-bromo-2-[(2-bromobenzoyl)amino]benzoate?
The InChIKey is OMLJEHRFZVKQCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Br2NO3/c1-21-15(20)11-8-9(16)6-7-13(11)18-14(19)10-4-2-3-5-12(10)17/h2-8H,1H3,(H,18,19).
What are the key properties of methyl 5-bromo-2-[(2-bromobenzoyl)amino]benzoate?
methyl 5-bromo-2-[(2-bromobenzoyl)amino]benzoate has a molecular weight of 413.07 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-bromo-2-[(2-bromobenzoyl)amino]benzoate is sourced from PubChem (CID 19168688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).