methyl 2-chloro-3-[(2-chlorophenyl)methylamino]propanoate

C11H13Cl2NO2 — CID 103491926

IUPACmethyl 2-chloro-3-[(2-chlorophenyl)methylamino]propanoate
SMILESCOC(=O)C(Cl)CNCc1ccccc1Cl
InChIInChI=1S/C11H13Cl2NO2/c1-16-11(15)10(13)7-14-6-8-4-2-3-5-9(8)12/h2-5,10,14H,6-7H2,1H3
InChIKeyCMSDOLSBVAHSKT-UHFFFAOYSA-N
MW262.14 g/mol
LogP2.21
Rot. Bonds5

About methyl 2-chloro-3-[(2-chlorophenyl)methylamino]propanoate

methyl 2-chloro-3-[(2-chlorophenyl)methylamino]propanoate (PubChem CID 103491926) has the molecular formula C11H13Cl2NO2 and a molecular weight of 262.14 g/mol. Its IUPAC name is methyl 2-chloro-3-[(2-chlorophenyl)methylamino]propanoate.

Molecular Properties

Compound Namemethyl 2-chloro-3-[(2-chlorophenyl)methylamino]propanoate
PubChem CID103491926
Molecular FormulaC11H13Cl2NO2
Molecular Weight262.14 g/mol
Exact Mass261.03
IUPAC Namemethyl 2-chloro-3-[(2-chlorophenyl)methylamino]propanoate
SMILESCOC(=O)C(Cl)CNCc1ccccc1Cl
InChIInChI=1S/C11H13Cl2NO2/c1-16-11(15)10(13)7-14-6-8-4-2-3-5-9(8)12/h2-5,10,14H,6-7H2,1H3
InChIKeyCMSDOLSBVAHSKT-UHFFFAOYSA-N
XLogP2.21
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.14
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

methyl (2R)-3-[(2-chlorophenyl)methylamino]-2-methylpropanoate
CID 93035184
methyl 3-[(2-chlorophenyl)methylamino]-2-methylpropanoate
CID 43398429
methyl 2-chloro-3-[(2-fluorophenyl)methylamino]propanoate
CID 103491904
methyl 2-(2-chlorophenyl)-2-[(2-chlorophenyl)methylamino]acetate
CID 78845715
methyl 2-chloro-3-[[2-(2-hydroxyphenyl)acetyl]amino]propanoate
CID 103492759
methyl 2-chloro-3-[(4-methylphenyl)methylamino]propanoate
CID 103491747
methyl 2-chloro-3-[(4-chloro-3-fluorophenyl)methylamino]propanoate
CID 107887656
methyl 2-chloro-3-[(4-iodophenyl)methylamino]propanoate
CID 103491622
methyl 3-[(2-hydroxyphenyl)methylamino]-2-methylpropanoate
CID 114332021
methyl 2-bromo-3-[(2,5-dichlorophenyl)methylamino]propanoate
CID 103492200
3-[(2-chlorophenyl)methylamino]propane-1,2-diol
CID 57229220
methyl 2-methyl-3-[(2-methylphenyl)methylamino]propanoate
CID 60649455

Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-3-[(2-chlorophenyl)methylamino]propanoate?
The IUPAC name of methyl 2-chloro-3-[(2-chlorophenyl)methylamino]propanoate (CID 103491926) is methyl 2-chloro-3-[(2-chlorophenyl)methylamino]propanoate.
What is the SMILES notation for methyl 2-chloro-3-[(2-chlorophenyl)methylamino]propanoate?
The canonical SMILES for methyl 2-chloro-3-[(2-chlorophenyl)methylamino]propanoate is COC(=O)C(Cl)CNCc1ccccc1Cl.
What is the InChIKey of methyl 2-chloro-3-[(2-chlorophenyl)methylamino]propanoate?
The InChIKey is CMSDOLSBVAHSKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO2/c1-16-11(15)10(13)7-14-6-8-4-2-3-5-9(8)12/h2-5,10,14H,6-7H2,1H3.
What are the key properties of methyl 2-chloro-3-[(2-chlorophenyl)methylamino]propanoate?
methyl 2-chloro-3-[(2-chlorophenyl)methylamino]propanoate has a molecular weight of 262.14 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-3-[(2-chlorophenyl)methylamino]propanoate is sourced from PubChem (CID 103491926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).