methyl 2-[[3-(2-chlorophenyl)-3-phenylpropanoyl]-methylamino]acetate

C19H20ClNO3 — CID 45204448

IUPACmethyl 2-[[3-(2-chlorophenyl)-3-phenylpropanoyl]-methylamino]acetate
SMILESCOC(=O)CN(C)C(=O)CC(c1ccccc1)c1ccccc1Cl
InChIInChI=1S/C19H20ClNO3/c1-21(13-19(23)24-2)18(22)12-16(14-8-4-3-5-9-14)15-10-6-7-11-17(15)20/h3-11,16H,12-13H2,1-2H3
InChIKeySWXHTFAVEBOOGC-UHFFFAOYSA-N
MW345.83 g/mol
LogP3.49
Rot. Bonds6

About methyl 2-[[3-(2-chlorophenyl)-3-phenylpropanoyl]-methylamino]acetate

methyl 2-[[3-(2-chlorophenyl)-3-phenylpropanoyl]-methylamino]acetate (PubChem CID 45204448) has the molecular formula C19H20ClNO3 and a molecular weight of 345.83 g/mol. Its IUPAC name is methyl 2-[[3-(2-chlorophenyl)-3-phenylpropanoyl]-methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[[3-(2-chlorophenyl)-3-phenylpropanoyl]-methylamino]acetate
PubChem CID45204448
Molecular FormulaC19H20ClNO3
Molecular Weight345.83 g/mol
Exact Mass345.11
IUPAC Namemethyl 2-[[3-(2-chlorophenyl)-3-phenylpropanoyl]-methylamino]acetate
SMILESCOC(=O)CN(C)C(=O)CC(c1ccccc1)c1ccccc1Cl
InChIInChI=1S/C19H20ClNO3/c1-21(13-19(23)24-2)18(22)12-16(14-8-4-3-5-9-14)15-10-6-7-11-17(15)20/h3-11,16H,12-13H2,1-2H3
InChIKeySWXHTFAVEBOOGC-UHFFFAOYSA-N
XLogP3.49
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[methyl-[(3R)-3-(2-methylphenyl)-3-phenylpropanoyl]amino]acetate
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methyl 3-[1-(2-chlorophenyl)ethyl-methylamino]butanoate
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methyl 2-[(2,6-dichlorobenzoyl)-methylamino]acetate
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3-(2-chlorophenyl)-N-(2-imidazol-1-ylethyl)-N-methyl-3-phenylpropanamide
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methyl 2-[(2-methoxy-2-phenylacetyl)-methylamino]acetate
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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[3-(2-chlorophenyl)-3-phenylpropanoyl]-methylamino]acetate?
The IUPAC name of methyl 2-[[3-(2-chlorophenyl)-3-phenylpropanoyl]-methylamino]acetate (CID 45204448) is methyl 2-[[3-(2-chlorophenyl)-3-phenylpropanoyl]-methylamino]acetate.
What is the SMILES notation for methyl 2-[[3-(2-chlorophenyl)-3-phenylpropanoyl]-methylamino]acetate?
The canonical SMILES for methyl 2-[[3-(2-chlorophenyl)-3-phenylpropanoyl]-methylamino]acetate is COC(=O)CN(C)C(=O)CC(c1ccccc1)c1ccccc1Cl.
What is the InChIKey of methyl 2-[[3-(2-chlorophenyl)-3-phenylpropanoyl]-methylamino]acetate?
The InChIKey is SWXHTFAVEBOOGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO3/c1-21(13-19(23)24-2)18(22)12-16(14-8-4-3-5-9-14)15-10-6-7-11-17(15)20/h3-11,16H,12-13H2,1-2H3.
What are the key properties of methyl 2-[[3-(2-chlorophenyl)-3-phenylpropanoyl]-methylamino]acetate?
methyl 2-[[3-(2-chlorophenyl)-3-phenylpropanoyl]-methylamino]acetate has a molecular weight of 345.83 g/mol, XLogP of 3.49, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[3-(2-chlorophenyl)-3-phenylpropanoyl]-methylamino]acetate is sourced from PubChem (CID 45204448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).