methyl 5-chloro-2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]benzoate

C14H17ClN2O4 — CID 102655772

IUPACmethyl 5-chloro-2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]benzoate
SMILESCOC(=O)c1cc(Cl)ccc1NC(=O)COC1(C)CNC1
InChIInChI=1S/C14H17ClN2O4/c1-14(7-16-8-14)21-6-12(18)17-11-4-3-9(15)5-10(11)13(19)20-2/h3-5,16H,6-8H2,1-2H3,(H,17,18)
InChIKeyWUQXAFXFOITRAW-UHFFFAOYSA-N
MW312.75 g/mol
LogP1.44
Rot. Bonds5

About methyl 5-chloro-2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]benzoate

methyl 5-chloro-2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]benzoate (PubChem CID 102655772) has the molecular formula C14H17ClN2O4 and a molecular weight of 312.75 g/mol. Its IUPAC name is methyl 5-chloro-2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 5-chloro-2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]benzoate
PubChem CID102655772
Molecular FormulaC14H17ClN2O4
Molecular Weight312.75 g/mol
Exact Mass312.09
IUPAC Namemethyl 5-chloro-2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]benzoate
SMILESCOC(=O)c1cc(Cl)ccc1NC(=O)COC1(C)CNC1
InChIInChI=1S/C14H17ClN2O4/c1-14(7-16-8-14)21-6-12(18)17-11-4-3-9(15)5-10(11)13(19)20-2/h3-5,16H,6-8H2,1-2H3,(H,17,18)
InChIKeyWUQXAFXFOITRAW-UHFFFAOYSA-N
XLogP1.44
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.75
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 5-chloro-2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]benzoate with MolForge

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Related Compounds

N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102655692
methyl 5-chloro-2-[(2-ethoxyacetyl)amino]benzoate
CID 11425737
methyl 4-methyl-3-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]benzoate
CID 102610803
2-[2-(4-chloro-2-methoxycarbonylanilino)-2-oxoethoxy]acetic acid
CID 51039954
N-(2,5-dichloro-4-methylphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102656583
N-(3-methoxy-2,4-dimethylphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102611343
N-(2-chloro-5-methylsulfonylphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102655779
N-(2-chloro-5-cyanophenyl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102656362
2-[[2-(4-chloro-2-methoxycarbonylanilino)-2-oxoethyl]-methylamino]acetic acid
CID 51040154
2-(3-methylazetidin-3-yl)oxy-N-(2-methyl-4-nitrophenyl)acetamide
CID 102655811
N-(2-chloro-4,6-difluorophenyl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102656524
methyl 2-[[2-[3-(1-adamantyl)phenoxy]acetyl]amino]-5-chlorobenzoate
CID 66679857

Frequently Asked Questions

What is the IUPAC name of methyl 5-chloro-2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]benzoate?
The IUPAC name of methyl 5-chloro-2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]benzoate (CID 102655772) is methyl 5-chloro-2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]benzoate.
What is the SMILES notation for methyl 5-chloro-2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]benzoate?
The canonical SMILES for methyl 5-chloro-2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]benzoate is COC(=O)c1cc(Cl)ccc1NC(=O)COC1(C)CNC1.
What is the InChIKey of methyl 5-chloro-2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]benzoate?
The InChIKey is WUQXAFXFOITRAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O4/c1-14(7-16-8-14)21-6-12(18)17-11-4-3-9(15)5-10(11)13(19)20-2/h3-5,16H,6-8H2,1-2H3,(H,17,18).
What are the key properties of methyl 5-chloro-2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]benzoate?
methyl 5-chloro-2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]benzoate has a molecular weight of 312.75 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-chloro-2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]benzoate is sourced from PubChem (CID 102655772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).