[2-(cyclohexylamino)-2-oxoethyl] 2-(2-bromo-4-chlorophenoxy)acetate

C16H19BrClNO4 — CID 4516239

IUPAC[2-(cyclohexylamino)-2-oxoethyl] 2-(2-bromo-4-chlorophenoxy)acetate
SMILESO=C(COC(=O)COc1ccc(Cl)cc1Br)NC1CCCCC1
InChIInChI=1S/C16H19BrClNO4/c17-13-8-11(18)6-7-14(13)22-10-16(21)23-9-15(20)19-12-4-2-1-3-5-12/h6-8,12H,1-5,9-10H2,(H,19,20)
InChIKeyBUOFTFKEEMTAST-UHFFFAOYSA-N
MW404.69 g/mol
LogP3.47
Rot. Bonds6

About [2-(cyclohexylamino)-2-oxoethyl] 2-(2-bromo-4-chlorophenoxy)acetate

[2-(cyclohexylamino)-2-oxoethyl] 2-(2-bromo-4-chlorophenoxy)acetate (PubChem CID 4516239) has the molecular formula C16H19BrClNO4 and a molecular weight of 404.69 g/mol. Its IUPAC name is [2-(cyclohexylamino)-2-oxoethyl] 2-(2-bromo-4-chlorophenoxy)acetate.

Molecular Properties

Compound Name[2-(cyclohexylamino)-2-oxoethyl] 2-(2-bromo-4-chlorophenoxy)acetate
PubChem CID4516239
Molecular FormulaC16H19BrClNO4
Molecular Weight404.69 g/mol
Exact Mass403.02
IUPAC Name[2-(cyclohexylamino)-2-oxoethyl] 2-(2-bromo-4-chlorophenoxy)acetate
SMILESO=C(COC(=O)COc1ccc(Cl)cc1Br)NC1CCCCC1
InChIInChI=1S/C16H19BrClNO4/c17-13-8-11(18)6-7-14(13)22-10-16(21)23-9-15(20)19-12-4-2-1-3-5-12/h6-8,12H,1-5,9-10H2,(H,19,20)
InChIKeyBUOFTFKEEMTAST-UHFFFAOYSA-N
XLogP3.47
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.69
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(cycloheptylamino)-2-oxoethyl] 2-(2-bromo-4-chlorophenoxy)acetate
CID 3970402
[2-(cyclopentylamino)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate
CID 3987255
[2-(cycloheptylamino)-2-oxoethyl] 2-(2,4,5-trichlorophenoxy)acetate
CID 23825650
N-cyclopentyl-2-(2,5-dichlorophenoxy)acetamide
CID 841562
[2-(cycloheptylamino)-2-oxoethyl] 2,5-dichlorobenzoate
CID 4803859
2-(2-bromo-4-chlorophenoxy)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]acetamide
CID 24504200
2-(2-bromo-4-chlorophenoxy)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 3939341
2-(2-bromo-4-methoxyphenoxy)-N-cycloheptylacetamide
CID 104704670
[2-oxo-2-(prop-2-ynylamino)ethyl] 2-(2-bromo-4-chlorophenoxy)acetate
CID 8846348
[2-(cyclohexylamino)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 7843884
[2-(cyclopropylamino)-2-oxoethyl] 2-(4-chloronaphthalen-1-yl)oxyacetate
CID 8732373
N-cyclopentyl-2-[[2-(2,4-dichlorophenoxy)acetyl]amino]acetamide
CID 112990888

Frequently Asked Questions

What is the IUPAC name of [2-(cyclohexylamino)-2-oxoethyl] 2-(2-bromo-4-chlorophenoxy)acetate?
The IUPAC name of [2-(cyclohexylamino)-2-oxoethyl] 2-(2-bromo-4-chlorophenoxy)acetate (CID 4516239) is [2-(cyclohexylamino)-2-oxoethyl] 2-(2-bromo-4-chlorophenoxy)acetate.
What is the SMILES notation for [2-(cyclohexylamino)-2-oxoethyl] 2-(2-bromo-4-chlorophenoxy)acetate?
The canonical SMILES for [2-(cyclohexylamino)-2-oxoethyl] 2-(2-bromo-4-chlorophenoxy)acetate is O=C(COC(=O)COc1ccc(Cl)cc1Br)NC1CCCCC1.
What is the InChIKey of [2-(cyclohexylamino)-2-oxoethyl] 2-(2-bromo-4-chlorophenoxy)acetate?
The InChIKey is BUOFTFKEEMTAST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrClNO4/c17-13-8-11(18)6-7-14(13)22-10-16(21)23-9-15(20)19-12-4-2-1-3-5-12/h6-8,12H,1-5,9-10H2,(H,19,20).
What are the key properties of [2-(cyclohexylamino)-2-oxoethyl] 2-(2-bromo-4-chlorophenoxy)acetate?
[2-(cyclohexylamino)-2-oxoethyl] 2-(2-bromo-4-chlorophenoxy)acetate has a molecular weight of 404.69 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclohexylamino)-2-oxoethyl] 2-(2-bromo-4-chlorophenoxy)acetate is sourced from PubChem (CID 4516239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).