[(4-chlorobenzoyl)amino] 4-bromobenzoate

C14H9BrClNO3 — CID 1047624

IUPAC[(4-chlorobenzoyl)amino] 4-bromobenzoate
SMILESO=C(NOC(=O)c1ccc(Br)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C14H9BrClNO3/c15-11-5-1-10(2-6-11)14(19)20-17-13(18)9-3-7-12(16)8-4-9/h1-8H,(H,17,18)
InChIKeyRETMHFHPXBVDHX-UHFFFAOYSA-N
MW354.59 g/mol
LogP3.60
Rot. Bonds2

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

[(4-chlorobenzoyl)amino] 4-bromobenzoate (PubChem CID 1047624) has the molecular formula C14H9BrClNO3 and a molecular weight of 354.59 g/mol. Its IUPAC name is [(4-chlorobenzoyl)amino] 4-bromobenzoate.

Molecular Properties

Compound Name[(4-chlorobenzoyl)amino] 4-bromobenzoate
PubChem CID1047624
Molecular FormulaC14H9BrClNO3
Molecular Weight354.59 g/mol
Exact Mass352.95
IUPAC Name[(4-chlorobenzoyl)amino] 4-bromobenzoate
SMILESO=C(NOC(=O)c1ccc(Br)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C14H9BrClNO3/c15-11-5-1-10(2-6-11)14(19)20-17-13(18)9-3-7-12(16)8-4-9/h1-8H,(H,17,18)
InChIKeyRETMHFHPXBVDHX-UHFFFAOYSA-N
XLogP3.60
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.59
LogP ≤ 53.60
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-bromobenzoate?
The IUPAC name of [(4-chlorobenzoyl)amino] 4-bromobenzoate (CID 1047624) is [(4-chlorobenzoyl)amino] 4-bromobenzoate.
What is the SMILES notation for [(4-chlorobenzoyl)amino] 4-bromobenzoate?
The canonical SMILES for [(4-chlorobenzoyl)amino] 4-bromobenzoate is O=C(NOC(=O)c1ccc(Br)cc1)c1ccc(Cl)cc1.
What is the InChIKey of [(4-chlorobenzoyl)amino] 4-bromobenzoate?
The InChIKey is RETMHFHPXBVDHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrClNO3/c15-11-5-1-10(2-6-11)14(19)20-17-13(18)9-3-7-12(16)8-4-9/h1-8H,(H,17,18).
What are the key properties of [(4-chlorobenzoyl)amino] 4-bromobenzoate?
[(4-chlorobenzoyl)amino] 4-bromobenzoate has a molecular weight of 354.59 g/mol, XLogP of 3.60, 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-bromobenzoate is sourced from PubChem (CID 1047624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).