[2-(2,4-dichlorophenyl)-2-oxoethyl] 2-[(3-bromobenzoyl)amino]acetate

C17H12BrCl2NO4 — CID 35651131

IUPAC[2-(2,4-dichlorophenyl)-2-oxoethyl] 2-[(3-bromobenzoyl)amino]acetate
SMILESO=C(CNC(=O)c1cccc(Br)c1)OCC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H12BrCl2NO4/c18-11-3-1-2-10(6-11)17(24)21-8-16(23)25-9-15(22)13-5-4-12(19)7-14(13)20/h1-7H,8-9H2,(H,21,24)
InChIKeyDGNQYHKVIYCJHT-UHFFFAOYSA-N
MW445.10 g/mol
LogP3.91
Rot. Bonds6

About [2-(2,4-dichlorophenyl)-2-oxoethyl] 2-[(3-bromobenzoyl)amino]acetate

[2-(2,4-dichlorophenyl)-2-oxoethyl] 2-[(3-bromobenzoyl)amino]acetate (PubChem CID 35651131) has the molecular formula C17H12BrCl2NO4 and a molecular weight of 445.10 g/mol. Its IUPAC name is [2-(2,4-dichlorophenyl)-2-oxoethyl] 2-[(3-bromobenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-(2,4-dichlorophenyl)-2-oxoethyl] 2-[(3-bromobenzoyl)amino]acetate
PubChem CID35651131
Molecular FormulaC17H12BrCl2NO4
Molecular Weight445.10 g/mol
Exact Mass442.93
IUPAC Name[2-(2,4-dichlorophenyl)-2-oxoethyl] 2-[(3-bromobenzoyl)amino]acetate
SMILESO=C(CNC(=O)c1cccc(Br)c1)OCC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H12BrCl2NO4/c18-11-3-1-2-10(6-11)17(24)21-8-16(23)25-9-15(22)13-5-4-12(19)7-14(13)20/h1-7H,8-9H2,(H,21,24)
InChIKeyDGNQYHKVIYCJHT-UHFFFAOYSA-N
XLogP3.91
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.10
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-fluorophenyl)-2-oxoethyl] 2-[(3-bromobenzoyl)amino]acetate
CID 35651185
[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl] 2-[(3-bromobenzoyl)amino]acetate
CID 31667006
2-oxopropyl 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 7843867
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-[(3-bromobenzoyl)amino]acetate
CID 46814133
[2-(4-ethoxyphenyl)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 9270722
(2,4-dichlorophenyl)methyl 2-[(3-chlorobenzoyl)amino]acetate
CID 2342593
(2-oxo-2-piperidin-1-ylethyl) 2-[(3-bromobenzoyl)amino]acetate
CID 35661902
3-bromo-N-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]ethyl]benzamide
CID 108539659
2-(3-bromophenoxy)ethyl 2-[(4-chlorobenzoyl)amino]acetate
CID 2492843
[2-(1,3-benzodioxol-5-yl)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 9270753
(3-carbamoylphenyl)methyl 2-[(3-bromobenzoyl)amino]acetate
CID 55634531
[2-(2,4-dichlorophenyl)-2-oxoethyl] 3-(trifluoromethyl)benzoate
CID 2459819

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-dichlorophenyl)-2-oxoethyl] 2-[(3-bromobenzoyl)amino]acetate?
The IUPAC name of [2-(2,4-dichlorophenyl)-2-oxoethyl] 2-[(3-bromobenzoyl)amino]acetate (CID 35651131) is [2-(2,4-dichlorophenyl)-2-oxoethyl] 2-[(3-bromobenzoyl)amino]acetate.
What is the SMILES notation for [2-(2,4-dichlorophenyl)-2-oxoethyl] 2-[(3-bromobenzoyl)amino]acetate?
The canonical SMILES for [2-(2,4-dichlorophenyl)-2-oxoethyl] 2-[(3-bromobenzoyl)amino]acetate is O=C(CNC(=O)c1cccc(Br)c1)OCC(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of [2-(2,4-dichlorophenyl)-2-oxoethyl] 2-[(3-bromobenzoyl)amino]acetate?
The InChIKey is DGNQYHKVIYCJHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrCl2NO4/c18-11-3-1-2-10(6-11)17(24)21-8-16(23)25-9-15(22)13-5-4-12(19)7-14(13)20/h1-7H,8-9H2,(H,21,24).
What are the key properties of [2-(2,4-dichlorophenyl)-2-oxoethyl] 2-[(3-bromobenzoyl)amino]acetate?
[2-(2,4-dichlorophenyl)-2-oxoethyl] 2-[(3-bromobenzoyl)amino]acetate has a molecular weight of 445.10 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-dichlorophenyl)-2-oxoethyl] 2-[(3-bromobenzoyl)amino]acetate is sourced from PubChem (CID 35651131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).