[2-(methylcarbamoylamino)-2-oxoethyl] 2-(2-chloro-4-phenylphenoxy)acetate

C18H17ClN2O5 — CID 8546642

IUPAC[2-(methylcarbamoylamino)-2-oxoethyl] 2-(2-chloro-4-phenylphenoxy)acetate
SMILESCNC(=O)NC(=O)COC(=O)COc1ccc(-c2ccccc2)cc1Cl
InChIInChI=1S/C18H17ClN2O5/c1-20-18(24)21-16(22)10-26-17(23)11-25-15-8-7-13(9-14(15)19)12-5-3-2-4-6-12/h2-9H,10-11H2,1H3,(H2,20,21,22,24)
InChIKeyCRBCTOCLVHOCEY-UHFFFAOYSA-N
MW376.80 g/mol
LogP2.38
Rot. Bonds6

About [2-(methylcarbamoylamino)-2-oxoethyl] 2-(2-chloro-4-phenylphenoxy)acetate

[2-(methylcarbamoylamino)-2-oxoethyl] 2-(2-chloro-4-phenylphenoxy)acetate (PubChem CID 8546642) has the molecular formula C18H17ClN2O5 and a molecular weight of 376.80 g/mol. Its IUPAC name is [2-(methylcarbamoylamino)-2-oxoethyl] 2-(2-chloro-4-phenylphenoxy)acetate.

Molecular Properties

Compound Name[2-(methylcarbamoylamino)-2-oxoethyl] 2-(2-chloro-4-phenylphenoxy)acetate
PubChem CID8546642
Molecular FormulaC18H17ClN2O5
Molecular Weight376.80 g/mol
Exact Mass376.08
IUPAC Name[2-(methylcarbamoylamino)-2-oxoethyl] 2-(2-chloro-4-phenylphenoxy)acetate
SMILESCNC(=O)NC(=O)COC(=O)COc1ccc(-c2ccccc2)cc1Cl
InChIInChI=1S/C18H17ClN2O5/c1-20-18(24)21-16(22)10-26-17(23)11-25-15-8-7-13(9-14(15)19)12-5-3-2-4-6-12/h2-9H,10-11H2,1H3,(H2,20,21,22,24)
InChIKeyCRBCTOCLVHOCEY-UHFFFAOYSA-N
XLogP2.38
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.80
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-chloro-4-phenylphenoxy)-N-methylacetamide
CID 17466417
[2-(methylcarbamoylamino)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate
CID 8021109
N-(2-amino-2-methylpropyl)-2-(2-chloro-4-phenylphenoxy)acetamide;hydrochloride
CID 119627165
[2-(benzylcarbamoylamino)-2-oxoethyl] 2-(2-chlorophenoxy)acetate
CID 2593757
[2-(methylcarbamoylamino)-2-oxoethyl] 2-(4-chloro-2,6-dimethylphenoxy)acetate
CID 2576910
[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(2-chlorophenoxy)acetate
CID 8909817
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-(2-chloro-4-phenylphenoxy)acetate
CID 8546814
[2-(ethylcarbamoylamino)-2-oxoethyl] 2-(2,4,5-trichlorophenoxy)acetate
CID 8785756
ethyl 2-[[2-(2-chloro-4-phenylphenoxy)acetyl]amino]benzoate
CID 7653195
[2-(methylcarbamoylamino)-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate
CID 2554300
2-(2-chloro-4-phenylphenoxy)-1-(2,4,5-trimethylphenyl)ethanone
CID 7652853
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(2-phenylphenoxy)acetate
CID 8919475

Frequently Asked Questions

What is the IUPAC name of [2-(methylcarbamoylamino)-2-oxoethyl] 2-(2-chloro-4-phenylphenoxy)acetate?
The IUPAC name of [2-(methylcarbamoylamino)-2-oxoethyl] 2-(2-chloro-4-phenylphenoxy)acetate (CID 8546642) is [2-(methylcarbamoylamino)-2-oxoethyl] 2-(2-chloro-4-phenylphenoxy)acetate.
What is the SMILES notation for [2-(methylcarbamoylamino)-2-oxoethyl] 2-(2-chloro-4-phenylphenoxy)acetate?
The canonical SMILES for [2-(methylcarbamoylamino)-2-oxoethyl] 2-(2-chloro-4-phenylphenoxy)acetate is CNC(=O)NC(=O)COC(=O)COc1ccc(-c2ccccc2)cc1Cl.
What is the InChIKey of [2-(methylcarbamoylamino)-2-oxoethyl] 2-(2-chloro-4-phenylphenoxy)acetate?
The InChIKey is CRBCTOCLVHOCEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O5/c1-20-18(24)21-16(22)10-26-17(23)11-25-15-8-7-13(9-14(15)19)12-5-3-2-4-6-12/h2-9H,10-11H2,1H3,(H2,20,21,22,24).
What are the key properties of [2-(methylcarbamoylamino)-2-oxoethyl] 2-(2-chloro-4-phenylphenoxy)acetate?
[2-(methylcarbamoylamino)-2-oxoethyl] 2-(2-chloro-4-phenylphenoxy)acetate has a molecular weight of 376.80 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylcarbamoylamino)-2-oxoethyl] 2-(2-chloro-4-phenylphenoxy)acetate is sourced from PubChem (CID 8546642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).