[(4-chlorobenzoyl)amino] 2-(4-bromophenoxy)acetate

C15H11BrClNO4 — CID 30075448

IUPAC[(4-chlorobenzoyl)amino] 2-(4-bromophenoxy)acetate
SMILESO=C(COc1ccc(Br)cc1)ONC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H11BrClNO4/c16-11-3-7-13(8-4-11)21-9-14(19)22-18-15(20)10-1-5-12(17)6-2-10/h1-8H,9H2,(H,18,20)
InChIKeyBRCVTRGNRJFODM-UHFFFAOYSA-N
MW384.61 g/mol
LogP3.37
Rot. Bonds4

About [(4-chlorobenzoyl)amino] 2-(4-bromophenoxy)acetate

[(4-chlorobenzoyl)amino] 2-(4-bromophenoxy)acetate (PubChem CID 30075448) has the molecular formula C15H11BrClNO4 and a molecular weight of 384.61 g/mol. Its IUPAC name is [(4-chlorobenzoyl)amino] 2-(4-bromophenoxy)acetate.

Molecular Properties

Compound Name[(4-chlorobenzoyl)amino] 2-(4-bromophenoxy)acetate
PubChem CID30075448
Molecular FormulaC15H11BrClNO4
Molecular Weight384.61 g/mol
Exact Mass382.96
IUPAC Name[(4-chlorobenzoyl)amino] 2-(4-bromophenoxy)acetate
SMILESO=C(COc1ccc(Br)cc1)ONC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H11BrClNO4/c16-11-3-7-13(8-4-11)21-9-14(19)22-18-15(20)10-1-5-12(17)6-2-10/h1-8H,9H2,(H,18,20)
InChIKeyBRCVTRGNRJFODM-UHFFFAOYSA-N
XLogP3.37
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.61
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N'-[2-(4-chlorophenoxy)acetyl]benzohydrazide
CID 4811581
2-(4-bromophenoxy)ethyl 2-(4-chlorophenoxy)acetate
CID 2363711
[[amino-(4-chlorophenyl)methylidene]amino] 2-(4-bromophenoxy)acetate
CID 2885364
4-bromo-N'-[3-(4-chlorophenoxy)propanoyl]benzohydrazide
CID 78876899
(4-chlorophenyl) 2-[4-[2-(4-chlorophenoxy)-2-oxoethoxy]phenoxy]acetate
CID 10503577
[(E)-[2-(4-bromophenoxy)-1-(4-chlorophenyl)ethylidene]amino]thiourea
CID 122189121
2-(4-chlorophenoxy)-N-hydroxyacetamide
CID 11183280
4-bromo-N-[3-[2-(4-chlorophenyl)-2-oxoethoxy]phenyl]benzamide
CID 19644940
2-(pyridine-4-carbonylamino)ethyl 2-(4-chlorophenoxy)acetate
CID 3405272
2-(6-bromonaphthalen-2-yl)oxy-1-(4-chlorophenyl)ethanone
CID 4213919
N-[(1R)-1-(4-bromophenyl)ethyl]-2-(4-chlorophenoxy)acetamide
CID 7948935
N-[(E)-[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-4-chlorobenzamide
CID 21379709

Frequently Asked Questions

What is the IUPAC name of [(4-chlorobenzoyl)amino] 2-(4-bromophenoxy)acetate?
The IUPAC name of [(4-chlorobenzoyl)amino] 2-(4-bromophenoxy)acetate (CID 30075448) is [(4-chlorobenzoyl)amino] 2-(4-bromophenoxy)acetate.
What is the SMILES notation for [(4-chlorobenzoyl)amino] 2-(4-bromophenoxy)acetate?
The canonical SMILES for [(4-chlorobenzoyl)amino] 2-(4-bromophenoxy)acetate is O=C(COc1ccc(Br)cc1)ONC(=O)c1ccc(Cl)cc1.
What is the InChIKey of [(4-chlorobenzoyl)amino] 2-(4-bromophenoxy)acetate?
The InChIKey is BRCVTRGNRJFODM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrClNO4/c16-11-3-7-13(8-4-11)21-9-14(19)22-18-15(20)10-1-5-12(17)6-2-10/h1-8H,9H2,(H,18,20).
What are the key properties of [(4-chlorobenzoyl)amino] 2-(4-bromophenoxy)acetate?
[(4-chlorobenzoyl)amino] 2-(4-bromophenoxy)acetate has a molecular weight of 384.61 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-chlorobenzoyl)amino] 2-(4-bromophenoxy)acetate is sourced from PubChem (CID 30075448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).