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

C15H11Cl2NO3 — CID 2798816

IUPACmethyl 4-chloro-2-[(2-chlorobenzoyl)amino]benzoate
SMILESCOC(=O)c1ccc(Cl)cc1NC(=O)c1ccccc1Cl
InChIInChI=1S/C15H11Cl2NO3/c1-21-15(20)11-7-6-9(16)8-13(11)18-14(19)10-4-2-3-5-12(10)17/h2-8H,1H3,(H,18,19)
InChIKeyXYMCGQGALVRHLK-UHFFFAOYSA-N
MW324.16 g/mol
LogP4.03
Rot. Bonds3

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

methyl 4-chloro-2-[(2-chlorobenzoyl)amino]benzoate (PubChem CID 2798816) has the molecular formula C15H11Cl2NO3 and a molecular weight of 324.16 g/mol. Its IUPAC name is methyl 4-chloro-2-[(2-chlorobenzoyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 4-chloro-2-[(2-chlorobenzoyl)amino]benzoate
PubChem CID2798816
Molecular FormulaC15H11Cl2NO3
Molecular Weight324.16 g/mol
Exact Mass323.01
IUPAC Namemethyl 4-chloro-2-[(2-chlorobenzoyl)amino]benzoate
SMILESCOC(=O)c1ccc(Cl)cc1NC(=O)c1ccccc1Cl
InChIInChI=1S/C15H11Cl2NO3/c1-21-15(20)11-7-6-9(16)8-13(11)18-14(19)10-4-2-3-5-12(10)17/h2-8H,1H3,(H,18,19)
InChIKeyXYMCGQGALVRHLK-UHFFFAOYSA-N
XLogP4.03
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.16
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-2-[(2-chlorobenzoyl)amino]benzoate?
The IUPAC name of methyl 4-chloro-2-[(2-chlorobenzoyl)amino]benzoate (CID 2798816) is methyl 4-chloro-2-[(2-chlorobenzoyl)amino]benzoate.
What is the SMILES notation for methyl 4-chloro-2-[(2-chlorobenzoyl)amino]benzoate?
The canonical SMILES for methyl 4-chloro-2-[(2-chlorobenzoyl)amino]benzoate is COC(=O)c1ccc(Cl)cc1NC(=O)c1ccccc1Cl.
What is the InChIKey of methyl 4-chloro-2-[(2-chlorobenzoyl)amino]benzoate?
The InChIKey is XYMCGQGALVRHLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2NO3/c1-21-15(20)11-7-6-9(16)8-13(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 4-chloro-2-[(2-chlorobenzoyl)amino]benzoate?
methyl 4-chloro-2-[(2-chlorobenzoyl)amino]benzoate has a molecular weight of 324.16 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-2-[(2-chlorobenzoyl)amino]benzoate is sourced from PubChem (CID 2798816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).