methyl 2-(2-carbamoyl-5-chlorophenoxy)acetate

C10H10ClNO4 — CID 47083412

IUPACmethyl 2-(2-carbamoyl-5-chlorophenoxy)acetate
SMILESCOC(=O)COc1cc(Cl)ccc1C(N)=O
InChIInChI=1S/C10H10ClNO4/c1-15-9(13)5-16-8-4-6(11)2-3-7(8)10(12)14/h2-4H,5H2,1H3,(H2,12,14)
InChIKeyITRBBYTUVGYNIJ-UHFFFAOYSA-N
MW243.65 g/mol
LogP0.99
Rot. Bonds4

About methyl 2-(2-carbamoyl-5-chlorophenoxy)acetate

methyl 2-(2-carbamoyl-5-chlorophenoxy)acetate (PubChem CID 47083412) has the molecular formula C10H10ClNO4 and a molecular weight of 243.65 g/mol. Its IUPAC name is methyl 2-(2-carbamoyl-5-chlorophenoxy)acetate.

Molecular Properties

Compound Namemethyl 2-(2-carbamoyl-5-chlorophenoxy)acetate
PubChem CID47083412
Molecular FormulaC10H10ClNO4
Molecular Weight243.65 g/mol
Exact Mass243.03
IUPAC Namemethyl 2-(2-carbamoyl-5-chlorophenoxy)acetate
SMILESCOC(=O)COc1cc(Cl)ccc1C(N)=O
InChIInChI=1S/C10H10ClNO4/c1-15-9(13)5-16-8-4-6(11)2-3-7(8)10(12)14/h2-4H,5H2,1H3,(H2,12,14)
InChIKeyITRBBYTUVGYNIJ-UHFFFAOYSA-N
XLogP0.99
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.65
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-2-ethoxybenzamide
CID 126998915
(2-carbamoyl-5-methoxyphenyl) 2-(2,5-dichlorophenoxy)acetate
CID 18272979
4-chloro-2-[2-(methylamino)ethoxy]benzamide
CID 63082636
4-chloro-2-methoxybenzamide
CID 19741766
methyl 2-(2-carbamoylphenoxy)acetate
CID 2772027
methyl 4-(2-carbamothioyl-5-chlorophenoxy)butanoate
CID 114323041
methyl 2-(4-chloro-2-sulfamoylphenoxy)acetate
CID 70527537
4-chloro-2-[2-(propan-2-ylamino)ethoxy]benzamide
CID 63083330
methyl 2-(2-aminoethoxy)-4-chlorobenzoate
CID 139394772
4-chloro-2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethoxy]benzamide
CID 94813801
methyl 2-(4-chloro-2-prop-2-enylphenoxy)acetate
CID 69275051
methyl 2-(4-carbamothioyl-2-chlorophenoxy)acetate
CID 61389131

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-carbamoyl-5-chlorophenoxy)acetate?
The IUPAC name of methyl 2-(2-carbamoyl-5-chlorophenoxy)acetate (CID 47083412) is methyl 2-(2-carbamoyl-5-chlorophenoxy)acetate.
What is the SMILES notation for methyl 2-(2-carbamoyl-5-chlorophenoxy)acetate?
The canonical SMILES for methyl 2-(2-carbamoyl-5-chlorophenoxy)acetate is COC(=O)COc1cc(Cl)ccc1C(N)=O.
What is the InChIKey of methyl 2-(2-carbamoyl-5-chlorophenoxy)acetate?
The InChIKey is ITRBBYTUVGYNIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO4/c1-15-9(13)5-16-8-4-6(11)2-3-7(8)10(12)14/h2-4H,5H2,1H3,(H2,12,14).
What are the key properties of methyl 2-(2-carbamoyl-5-chlorophenoxy)acetate?
methyl 2-(2-carbamoyl-5-chlorophenoxy)acetate has a molecular weight of 243.65 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-carbamoyl-5-chlorophenoxy)acetate is sourced from PubChem (CID 47083412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).