[(4-chlorobenzoyl)amino] 2,4-dichlorobenzoate

C14H8Cl3NO3 — CID 880026

IUPAC[(4-chlorobenzoyl)amino] 2,4-dichlorobenzoate
SMILESO=C(NOC(=O)c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C14H8Cl3NO3/c15-9-3-1-8(2-4-9)13(19)18-21-14(20)11-6-5-10(16)7-12(11)17/h1-7H,(H,18,19)
InChIKeySHENUHMCFJXIDX-UHFFFAOYSA-N
MW344.58 g/mol
LogP4.15
Rot. Bonds2

About [(4-chlorobenzoyl)amino] 2,4-dichlorobenzoate

[(4-chlorobenzoyl)amino] 2,4-dichlorobenzoate (PubChem CID 880026) has the molecular formula C14H8Cl3NO3 and a molecular weight of 344.58 g/mol. Its IUPAC name is [(4-chlorobenzoyl)amino] 2,4-dichlorobenzoate.

Molecular Properties

Compound Name[(4-chlorobenzoyl)amino] 2,4-dichlorobenzoate
PubChem CID880026
Molecular FormulaC14H8Cl3NO3
Molecular Weight344.58 g/mol
Exact Mass342.96
IUPAC Name[(4-chlorobenzoyl)amino] 2,4-dichlorobenzoate
SMILESO=C(NOC(=O)c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C14H8Cl3NO3/c15-9-3-1-8(2-4-9)13(19)18-21-14(20)11-6-5-10(16)7-12(11)17/h1-7H,(H,18,19)
InChIKeySHENUHMCFJXIDX-UHFFFAOYSA-N
XLogP4.15
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.58
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(4-chlorobenzoyl)amino] 2,4-dichlorobenzoate?
The IUPAC name of [(4-chlorobenzoyl)amino] 2,4-dichlorobenzoate (CID 880026) is [(4-chlorobenzoyl)amino] 2,4-dichlorobenzoate.
What is the SMILES notation for [(4-chlorobenzoyl)amino] 2,4-dichlorobenzoate?
The canonical SMILES for [(4-chlorobenzoyl)amino] 2,4-dichlorobenzoate is O=C(NOC(=O)c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1.
What is the InChIKey of [(4-chlorobenzoyl)amino] 2,4-dichlorobenzoate?
The InChIKey is SHENUHMCFJXIDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl3NO3/c15-9-3-1-8(2-4-9)13(19)18-21-14(20)11-6-5-10(16)7-12(11)17/h1-7H,(H,18,19).
What are the key properties of [(4-chlorobenzoyl)amino] 2,4-dichlorobenzoate?
[(4-chlorobenzoyl)amino] 2,4-dichlorobenzoate has a molecular weight of 344.58 g/mol, XLogP of 4.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-chlorobenzoyl)amino] 2,4-dichlorobenzoate is sourced from PubChem (CID 880026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).