ethyl 4-chloro-2-[(2,6-dichlorobenzoyl)amino]benzoate

C16H12Cl3NO3 — CID 44577383

IUPACethyl 4-chloro-2-[(2,6-dichlorobenzoyl)amino]benzoate
SMILESCCOC(=O)c1ccc(Cl)cc1NC(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C16H12Cl3NO3/c1-2-23-16(22)10-7-6-9(17)8-13(10)20-15(21)14-11(18)4-3-5-12(14)19/h3-8H,2H2,1H3,(H,20,21)
InChIKeyNMHGDENMXGDMSF-UHFFFAOYSA-N
MW372.64 g/mol
LogP5.08
Rot. Bonds4

About ethyl 4-chloro-2-[(2,6-dichlorobenzoyl)amino]benzoate

ethyl 4-chloro-2-[(2,6-dichlorobenzoyl)amino]benzoate (PubChem CID 44577383) has the molecular formula C16H12Cl3NO3 and a molecular weight of 372.64 g/mol. Its IUPAC name is ethyl 4-chloro-2-[(2,6-dichlorobenzoyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 4-chloro-2-[(2,6-dichlorobenzoyl)amino]benzoate
PubChem CID44577383
Molecular FormulaC16H12Cl3NO3
Molecular Weight372.64 g/mol
Exact Mass370.99
IUPAC Nameethyl 4-chloro-2-[(2,6-dichlorobenzoyl)amino]benzoate
SMILESCCOC(=O)c1ccc(Cl)cc1NC(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C16H12Cl3NO3/c1-2-23-16(22)10-7-6-9(17)8-13(10)20-15(21)14-11(18)4-3-5-12(14)19/h3-8H,2H2,1H3,(H,20,21)
InChIKeyNMHGDENMXGDMSF-UHFFFAOYSA-N
XLogP5.08
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.64
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-chloro-2-[(2,6-dichlorobenzoyl)amino]benzoate?
The IUPAC name of ethyl 4-chloro-2-[(2,6-dichlorobenzoyl)amino]benzoate (CID 44577383) is ethyl 4-chloro-2-[(2,6-dichlorobenzoyl)amino]benzoate.
What is the SMILES notation for ethyl 4-chloro-2-[(2,6-dichlorobenzoyl)amino]benzoate?
The canonical SMILES for ethyl 4-chloro-2-[(2,6-dichlorobenzoyl)amino]benzoate is CCOC(=O)c1ccc(Cl)cc1NC(=O)c1c(Cl)cccc1Cl.
What is the InChIKey of ethyl 4-chloro-2-[(2,6-dichlorobenzoyl)amino]benzoate?
The InChIKey is NMHGDENMXGDMSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl3NO3/c1-2-23-16(22)10-7-6-9(17)8-13(10)20-15(21)14-11(18)4-3-5-12(14)19/h3-8H,2H2,1H3,(H,20,21).
What are the key properties of ethyl 4-chloro-2-[(2,6-dichlorobenzoyl)amino]benzoate?
ethyl 4-chloro-2-[(2,6-dichlorobenzoyl)amino]benzoate has a molecular weight of 372.64 g/mol, XLogP of 5.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-chloro-2-[(2,6-dichlorobenzoyl)amino]benzoate is sourced from PubChem (CID 44577383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).