[2-(4-bromo-2-chloroanilino)-2-oxoethyl] 4-(cyclohexylamino)-4-oxobutanoate

C18H22BrClN2O4 — CID 17258306

IUPAC[2-(4-bromo-2-chloroanilino)-2-oxoethyl] 4-(cyclohexylamino)-4-oxobutanoate
SMILESO=C(COC(=O)CCC(=O)NC1CCCCC1)Nc1ccc(Br)cc1Cl
InChIInChI=1S/C18H22BrClN2O4/c19-12-6-7-15(14(20)10-12)22-17(24)11-26-18(25)9-8-16(23)21-13-4-2-1-3-5-13/h6-7,10,13H,1-5,8-9,11H2,(H,21,23)(H,22,24)
InChIKeyXFUUKPXBJKAIRN-UHFFFAOYSA-N
MW445.74 g/mol
LogP3.81
Rot. Bonds7

About [2-(4-bromo-2-chloroanilino)-2-oxoethyl] 4-(cyclohexylamino)-4-oxobutanoate

[2-(4-bromo-2-chloroanilino)-2-oxoethyl] 4-(cyclohexylamino)-4-oxobutanoate (PubChem CID 17258306) has the molecular formula C18H22BrClN2O4 and a molecular weight of 445.74 g/mol. Its IUPAC name is [2-(4-bromo-2-chloroanilino)-2-oxoethyl] 4-(cyclohexylamino)-4-oxobutanoate.

Molecular Properties

Compound Name[2-(4-bromo-2-chloroanilino)-2-oxoethyl] 4-(cyclohexylamino)-4-oxobutanoate
PubChem CID17258306
Molecular FormulaC18H22BrClN2O4
Molecular Weight445.74 g/mol
Exact Mass444.05
IUPAC Name[2-(4-bromo-2-chloroanilino)-2-oxoethyl] 4-(cyclohexylamino)-4-oxobutanoate
SMILESO=C(COC(=O)CCC(=O)NC1CCCCC1)Nc1ccc(Br)cc1Cl
InChIInChI=1S/C18H22BrClN2O4/c19-12-6-7-15(14(20)10-12)22-17(24)11-26-18(25)9-8-16(23)21-13-4-2-1-3-5-13/h6-7,10,13H,1-5,8-9,11H2,(H,21,23)(H,22,24)
InChIKeyXFUUKPXBJKAIRN-UHFFFAOYSA-N
XLogP3.81
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.74
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [2-(4-bromo-2-chloroanilino)-2-oxoethyl] 4-(cyclohexylamino)-4-oxobutanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(2,4-dichloroanilino)-2-oxoethyl] 4-(cyclohexylamino)-4-oxobutanoate
CID 9067618
[2-(2,4-dimethylanilino)-2-oxoethyl] 4-(cyclohexylamino)-4-oxobutanoate
CID 9067614
[2-(4-bromo-2-chloroanilino)-2-oxoethyl] 4-(3-methylanilino)-4-oxobutanoate
CID 17261039
2-(4-bromo-2-chloroanilino)-N-cyclopentylacetamide
CID 43236944
[2-(2-chloro-4-methylanilino)-2-oxoethyl] 3-cyclopentylpropanoate
CID 7751589
[2-(2,4-dichloroanilino)-2-oxoethyl] 3-cyclopentylpropanoate
CID 7751603
[2-(4-bromo-2-fluoroanilino)-2-oxoethyl] 3-cyclohexylpropanoate
CID 8815750
3-(4-bromo-2-chloroanilino)-N-cyclopropylpropanamide
CID 62627923
[2-(4-bromo-2-chloroanilino)-2-oxoethyl] 4-oxo-4-(4-propoxyphenyl)butanoate
CID 55469901
[2-(4-bromo-2-methylanilino)-2-oxoethyl] 3-cyclopentylpropanoate
CID 7751571
[2-(4-bromo-2-chloroanilino)-2-oxoethyl] 2-[cyclopentyl(methyl)amino]-2-methylpropanoate
CID 75449311
1-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-3-cyclohexylurea
CID 4981145

Frequently Asked Questions

What is the IUPAC name of [2-(4-bromo-2-chloroanilino)-2-oxoethyl] 4-(cyclohexylamino)-4-oxobutanoate?
The IUPAC name of [2-(4-bromo-2-chloroanilino)-2-oxoethyl] 4-(cyclohexylamino)-4-oxobutanoate (CID 17258306) is [2-(4-bromo-2-chloroanilino)-2-oxoethyl] 4-(cyclohexylamino)-4-oxobutanoate.
What is the SMILES notation for [2-(4-bromo-2-chloroanilino)-2-oxoethyl] 4-(cyclohexylamino)-4-oxobutanoate?
The canonical SMILES for [2-(4-bromo-2-chloroanilino)-2-oxoethyl] 4-(cyclohexylamino)-4-oxobutanoate is O=C(COC(=O)CCC(=O)NC1CCCCC1)Nc1ccc(Br)cc1Cl.
What is the InChIKey of [2-(4-bromo-2-chloroanilino)-2-oxoethyl] 4-(cyclohexylamino)-4-oxobutanoate?
The InChIKey is XFUUKPXBJKAIRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrClN2O4/c19-12-6-7-15(14(20)10-12)22-17(24)11-26-18(25)9-8-16(23)21-13-4-2-1-3-5-13/h6-7,10,13H,1-5,8-9,11H2,(H,21,23)(H,22,24).
What are the key properties of [2-(4-bromo-2-chloroanilino)-2-oxoethyl] 4-(cyclohexylamino)-4-oxobutanoate?
[2-(4-bromo-2-chloroanilino)-2-oxoethyl] 4-(cyclohexylamino)-4-oxobutanoate has a molecular weight of 445.74 g/mol, XLogP of 3.81, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-bromo-2-chloroanilino)-2-oxoethyl] 4-(cyclohexylamino)-4-oxobutanoate is sourced from PubChem (CID 17258306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).