methyl 2-[(5-chloro-2-methoxyphenyl)carbamoylamino]acetate

C11H13ClN2O4 — CID 108875604

IUPACmethyl 2-[(5-chloro-2-methoxyphenyl)carbamoylamino]acetate
SMILESCOC(=O)CNC(=O)Nc1cc(Cl)ccc1OC
InChIInChI=1S/C11H13ClN2O4/c1-17-9-4-3-7(12)5-8(9)14-11(16)13-6-10(15)18-2/h3-5H,6H2,1-2H3,(H2,13,14,16)
InChIKeyZMCAJLMBCSPSLB-UHFFFAOYSA-N
MW272.69 g/mol
LogP1.64
Rot. Bonds4

About methyl 2-[(5-chloro-2-methoxyphenyl)carbamoylamino]acetate

methyl 2-[(5-chloro-2-methoxyphenyl)carbamoylamino]acetate (PubChem CID 108875604) has the molecular formula C11H13ClN2O4 and a molecular weight of 272.69 g/mol. Its IUPAC name is methyl 2-[(5-chloro-2-methoxyphenyl)carbamoylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(5-chloro-2-methoxyphenyl)carbamoylamino]acetate
PubChem CID108875604
Molecular FormulaC11H13ClN2O4
Molecular Weight272.69 g/mol
Exact Mass272.06
IUPAC Namemethyl 2-[(5-chloro-2-methoxyphenyl)carbamoylamino]acetate
SMILESCOC(=O)CNC(=O)Nc1cc(Cl)ccc1OC
InChIInChI=1S/C11H13ClN2O4/c1-17-9-4-3-7(12)5-8(9)14-11(16)13-6-10(15)18-2/h3-5H,6H2,1-2H3,(H2,13,14,16)
InChIKeyZMCAJLMBCSPSLB-UHFFFAOYSA-N
XLogP1.64
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.69
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-chloro-2-methoxyphenyl)-3-(cyanomethyl)urea
CID 108864649
1-(5-chloro-2-methoxyphenyl)-3-[2-(4-hydroxyphenyl)ethyl]urea
CID 108875470
1-(5-chloro-2-methoxyphenyl)-3-[(2R)-2-hydroxy-3-methoxy-2-methylpropyl]urea
CID 95352044
1-(5-chloro-2-methoxyphenyl)-3-[2-(2-hydroxyethoxy)ethyl]urea
CID 108875526
2-[(2,4-dichlorophenyl)carbamoylamino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 47032016
2-chloro-N-(5-chloro-2-methoxyphenyl)acetamide
CID 776663
1-(5-chloro-2-methoxyphenyl)-3-[(6-hydroxy-1,4-dithiepan-6-yl)methyl]urea
CID 146080453
1-(5-chloro-2-methoxyphenyl)-3-[3-(diethylamino)propyl]urea
CID 108875528
1-(5-chloro-2-methoxyphenyl)-3-prop-1-en-2-ylurea
CID 108910159
1-(5-chloro-2-methoxyphenyl)-3-(2-piperidin-1-ylethyl)urea
CID 2225448
1-[2-(3-bromo-4-methoxyphenyl)ethyl]-3-(5-chloro-2-methoxyphenyl)urea
CID 3669367
1-(5-chloro-2-methoxyphenyl)-3-[(2S)-2-methoxy-2-(2-methoxyphenyl)ethyl]urea
CID 129373912

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-chloro-2-methoxyphenyl)carbamoylamino]acetate?
The IUPAC name of methyl 2-[(5-chloro-2-methoxyphenyl)carbamoylamino]acetate (CID 108875604) is methyl 2-[(5-chloro-2-methoxyphenyl)carbamoylamino]acetate.
What is the SMILES notation for methyl 2-[(5-chloro-2-methoxyphenyl)carbamoylamino]acetate?
The canonical SMILES for methyl 2-[(5-chloro-2-methoxyphenyl)carbamoylamino]acetate is COC(=O)CNC(=O)Nc1cc(Cl)ccc1OC.
What is the InChIKey of methyl 2-[(5-chloro-2-methoxyphenyl)carbamoylamino]acetate?
The InChIKey is ZMCAJLMBCSPSLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O4/c1-17-9-4-3-7(12)5-8(9)14-11(16)13-6-10(15)18-2/h3-5H,6H2,1-2H3,(H2,13,14,16).
What are the key properties of methyl 2-[(5-chloro-2-methoxyphenyl)carbamoylamino]acetate?
methyl 2-[(5-chloro-2-methoxyphenyl)carbamoylamino]acetate has a molecular weight of 272.69 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5-chloro-2-methoxyphenyl)carbamoylamino]acetate is sourced from PubChem (CID 108875604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).