methyl 2-(2-chlorophenyl)-2-[(2-chlorophenyl)methylamino]acetate

C16H15Cl2NO2 — CID 78845715

IUPACmethyl 2-(2-chlorophenyl)-2-[(2-chlorophenyl)methylamino]acetate
SMILESCOC(=O)C(NCc1ccccc1Cl)c1ccccc1Cl
InChIInChI=1S/C16H15Cl2NO2/c1-21-16(20)15(12-7-3-5-9-14(12)18)19-10-11-6-2-4-8-13(11)17/h2-9,15,19H,10H2,1H3
InChIKeySJEWZCSQDOLRJR-UHFFFAOYSA-N
MW324.21 g/mol
LogP4.00
Rot. Bonds5

About methyl 2-(2-chlorophenyl)-2-[(2-chlorophenyl)methylamino]acetate

methyl 2-(2-chlorophenyl)-2-[(2-chlorophenyl)methylamino]acetate (PubChem CID 78845715) has the molecular formula C16H15Cl2NO2 and a molecular weight of 324.21 g/mol. Its IUPAC name is methyl 2-(2-chlorophenyl)-2-[(2-chlorophenyl)methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-(2-chlorophenyl)-2-[(2-chlorophenyl)methylamino]acetate
PubChem CID78845715
Molecular FormulaC16H15Cl2NO2
Molecular Weight324.21 g/mol
Exact Mass323.05
IUPAC Namemethyl 2-(2-chlorophenyl)-2-[(2-chlorophenyl)methylamino]acetate
SMILESCOC(=O)C(NCc1ccccc1Cl)c1ccccc1Cl
InChIInChI=1S/C16H15Cl2NO2/c1-21-16(20)15(12-7-3-5-9-14(12)18)19-10-11-6-2-4-8-13(11)17/h2-9,15,19H,10H2,1H3
InChIKeySJEWZCSQDOLRJR-UHFFFAOYSA-N
XLogP4.00
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.21
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(2-chlorophenyl)-2-(ethylamino)acetate;hydrochloride
CID 141289381
methyl 2-(2-chlorophenyl)-2-(ethylamino)acetate;thiophene
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methyl (2R)-3-[(2-chlorophenyl)methylamino]-2-methylpropanoate
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methyl 2-chloro-3-[(2-chlorophenyl)methylamino]propanoate
CID 103491926
(2S)-2-[(2-chlorophenyl)methylamino]-2-phenylacetamide
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methyl 2-(2-chlorophenyl)-2-[(3,4-dimethoxy-5-prop-2-enylphenyl)methylamino]acetate
CID 86969856
methyl (2R)-2-(2-chlorophenyl)-2-(2-thiophen-2-ylethylamino)acetate;hydrochloride
CID 24938549
dimethyl 2-(2-chlorophenyl)propanedioate
CID 18710443
methyl 2-(2-chlorophenyl)-2-(2-thiophen-3-ylethylamino)acetate;hydrochloride
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methyl 2-(2-chlorophenyl)-2-(cyclopentylamino)acetate
CID 60727132
methyl 2-(2-chlorophenyl)-3-methoxypropanoate
CID 117244467

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-chlorophenyl)-2-[(2-chlorophenyl)methylamino]acetate?
The IUPAC name of methyl 2-(2-chlorophenyl)-2-[(2-chlorophenyl)methylamino]acetate (CID 78845715) is methyl 2-(2-chlorophenyl)-2-[(2-chlorophenyl)methylamino]acetate.
What is the SMILES notation for methyl 2-(2-chlorophenyl)-2-[(2-chlorophenyl)methylamino]acetate?
The canonical SMILES for methyl 2-(2-chlorophenyl)-2-[(2-chlorophenyl)methylamino]acetate is COC(=O)C(NCc1ccccc1Cl)c1ccccc1Cl.
What is the InChIKey of methyl 2-(2-chlorophenyl)-2-[(2-chlorophenyl)methylamino]acetate?
The InChIKey is SJEWZCSQDOLRJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO2/c1-21-16(20)15(12-7-3-5-9-14(12)18)19-10-11-6-2-4-8-13(11)17/h2-9,15,19H,10H2,1H3.
What are the key properties of methyl 2-(2-chlorophenyl)-2-[(2-chlorophenyl)methylamino]acetate?
methyl 2-(2-chlorophenyl)-2-[(2-chlorophenyl)methylamino]acetate has a molecular weight of 324.21 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-chlorophenyl)-2-[(2-chlorophenyl)methylamino]acetate is sourced from PubChem (CID 78845715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).