methyl 2-[(2-bromo-4-chlorobenzoyl)amino]benzoate

C15H11BrClNO3 — CID 103763170

IUPACmethyl 2-[(2-bromo-4-chlorobenzoyl)amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1Br
InChIInChI=1S/C15H11BrClNO3/c1-21-15(20)11-4-2-3-5-13(11)18-14(19)10-7-6-9(17)8-12(10)16/h2-8H,1H3,(H,18,19)
InChIKeyODCBVAUJXLDNQA-UHFFFAOYSA-N
MW368.61 g/mol
LogP4.14
Rot. Bonds3

About methyl 2-[(2-bromo-4-chlorobenzoyl)amino]benzoate

methyl 2-[(2-bromo-4-chlorobenzoyl)amino]benzoate (PubChem CID 103763170) has the molecular formula C15H11BrClNO3 and a molecular weight of 368.61 g/mol. Its IUPAC name is methyl 2-[(2-bromo-4-chlorobenzoyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[(2-bromo-4-chlorobenzoyl)amino]benzoate
PubChem CID103763170
Molecular FormulaC15H11BrClNO3
Molecular Weight368.61 g/mol
Exact Mass366.96
IUPAC Namemethyl 2-[(2-bromo-4-chlorobenzoyl)amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1Br
InChIInChI=1S/C15H11BrClNO3/c1-21-15(20)11-4-2-3-5-13(11)18-14(19)10-7-6-9(17)8-12(10)16/h2-8H,1H3,(H,18,19)
InChIKeyODCBVAUJXLDNQA-UHFFFAOYSA-N
XLogP4.14
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.61
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[(2-bromobenzoyl)amino]benzoate
CID 723592
methyl 2-[(5-chloro-2-methylbenzoyl)amino]benzoate
CID 115532221
2-bromo-4-chloro-N-(2-chlorophenyl)benzamide
CID 103763135
methyl 2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]benzoate
CID 1213645
methyl 2-[(2,5-dichlorophenyl)carbamoyl]benzoate
CID 108785394
methyl 2-[(2-chloro-4-fluorobenzoyl)amino]benzoate
CID 17418027
methyl 5-bromo-2-[(2-bromobenzoyl)amino]benzoate
CID 19168688
methyl 2-[(2,5-dichlorophenyl)carbamoylamino]benzoate
CID 12761941
methyl 3-[(2,4-dichlorobenzoyl)amino]-2-hydroxybenzoate
CID 108745807
2-bromo-4-chloro-N-(1-methyl-2-oxo-3-pyridinyl)benzamide
CID 86813420
methyl 3-[(4-chloro-2-fluorobenzoyl)amino]-2-methylbenzoate
CID 94002452
2-[(2-bromo-4-chlorobenzoyl)amino]-6-methylbenzoic acid
CID 107986716

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-bromo-4-chlorobenzoyl)amino]benzoate?
The IUPAC name of methyl 2-[(2-bromo-4-chlorobenzoyl)amino]benzoate (CID 103763170) is methyl 2-[(2-bromo-4-chlorobenzoyl)amino]benzoate.
What is the SMILES notation for methyl 2-[(2-bromo-4-chlorobenzoyl)amino]benzoate?
The canonical SMILES for methyl 2-[(2-bromo-4-chlorobenzoyl)amino]benzoate is COC(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1Br.
What is the InChIKey of methyl 2-[(2-bromo-4-chlorobenzoyl)amino]benzoate?
The InChIKey is ODCBVAUJXLDNQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrClNO3/c1-21-15(20)11-4-2-3-5-13(11)18-14(19)10-7-6-9(17)8-12(10)16/h2-8H,1H3,(H,18,19).
What are the key properties of methyl 2-[(2-bromo-4-chlorobenzoyl)amino]benzoate?
methyl 2-[(2-bromo-4-chlorobenzoyl)amino]benzoate has a molecular weight of 368.61 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-bromo-4-chlorobenzoyl)amino]benzoate is sourced from PubChem (CID 103763170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).