[(4-chlorobenzoyl)amino] 4-chlorobenzoate

C14H9Cl2NO3 — CID 14397513

IUPAC[(4-chlorobenzoyl)amino] 4-chlorobenzoate
SMILESO=C(NOC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C14H9Cl2NO3/c15-11-5-1-9(2-6-11)13(18)17-20-14(19)10-3-7-12(16)8-4-10/h1-8H,(H,17,18)
InChIKeySMRRMWTULIDTMC-UHFFFAOYSA-N
MW310.14 g/mol
LogP3.50
Rot. Bonds2

About [(4-chlorobenzoyl)amino] 4-chlorobenzoate

[(4-chlorobenzoyl)amino] 4-chlorobenzoate (PubChem CID 14397513) has the molecular formula C14H9Cl2NO3 and a molecular weight of 310.14 g/mol. Its IUPAC name is [(4-chlorobenzoyl)amino] 4-chlorobenzoate.

Molecular Properties

Compound Name[(4-chlorobenzoyl)amino] 4-chlorobenzoate
PubChem CID14397513
Molecular FormulaC14H9Cl2NO3
Molecular Weight310.14 g/mol
Exact Mass309.00
IUPAC Name[(4-chlorobenzoyl)amino] 4-chlorobenzoate
SMILESO=C(NOC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C14H9Cl2NO3/c15-11-5-1-9(2-6-11)13(18)17-20-14(19)10-3-7-12(16)8-4-10/h1-8H,(H,17,18)
InChIKeySMRRMWTULIDTMC-UHFFFAOYSA-N
XLogP3.50
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.14
LogP ≤ 53.50
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] 4-chlorobenzoate?
The IUPAC name of [(4-chlorobenzoyl)amino] 4-chlorobenzoate (CID 14397513) is [(4-chlorobenzoyl)amino] 4-chlorobenzoate.
What is the SMILES notation for [(4-chlorobenzoyl)amino] 4-chlorobenzoate?
The canonical SMILES for [(4-chlorobenzoyl)amino] 4-chlorobenzoate is O=C(NOC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of [(4-chlorobenzoyl)amino] 4-chlorobenzoate?
The InChIKey is SMRRMWTULIDTMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2NO3/c15-11-5-1-9(2-6-11)13(18)17-20-14(19)10-3-7-12(16)8-4-10/h1-8H,(H,17,18).
What are the key properties of [(4-chlorobenzoyl)amino] 4-chlorobenzoate?
[(4-chlorobenzoyl)amino] 4-chlorobenzoate has a molecular weight of 310.14 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-chlorobenzoyl)amino] 4-chlorobenzoate is sourced from PubChem (CID 14397513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).