ethyl 3-(2-chlorophenyl)-3-[(2-phenylacetyl)amino]propanoate

C19H20ClNO3 — CID 4028833

IUPACethyl 3-(2-chlorophenyl)-3-[(2-phenylacetyl)amino]propanoate
SMILESCCOC(=O)CC(NC(=O)Cc1ccccc1)c1ccccc1Cl
InChIInChI=1S/C19H20ClNO3/c1-2-24-19(23)13-17(15-10-6-7-11-16(15)20)21-18(22)12-14-8-4-3-5-9-14/h3-11,17H,2,12-13H2,1H3,(H,21,22)
InChIKeyBMFSZGZNTNPNRZ-UHFFFAOYSA-N
MW345.83 g/mol
LogP3.69
Rot. Bonds7

About ethyl 3-(2-chlorophenyl)-3-[(2-phenylacetyl)amino]propanoate

ethyl 3-(2-chlorophenyl)-3-[(2-phenylacetyl)amino]propanoate (PubChem CID 4028833) has the molecular formula C19H20ClNO3 and a molecular weight of 345.83 g/mol. Its IUPAC name is ethyl 3-(2-chlorophenyl)-3-[(2-phenylacetyl)amino]propanoate.

Molecular Properties

Compound Nameethyl 3-(2-chlorophenyl)-3-[(2-phenylacetyl)amino]propanoate
PubChem CID4028833
Molecular FormulaC19H20ClNO3
Molecular Weight345.83 g/mol
Exact Mass345.11
IUPAC Nameethyl 3-(2-chlorophenyl)-3-[(2-phenylacetyl)amino]propanoate
SMILESCCOC(=O)CC(NC(=O)Cc1ccccc1)c1ccccc1Cl
InChIInChI=1S/C19H20ClNO3/c1-2-24-19(23)13-17(15-10-6-7-11-16(15)20)21-18(22)12-14-8-4-3-5-9-14/h3-11,17H,2,12-13H2,1H3,(H,21,22)
InChIKeyBMFSZGZNTNPNRZ-UHFFFAOYSA-N
XLogP3.69
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-chlorophenyl)-3-[(2-phenylacetyl)amino]propanoate?
The IUPAC name of ethyl 3-(2-chlorophenyl)-3-[(2-phenylacetyl)amino]propanoate (CID 4028833) is ethyl 3-(2-chlorophenyl)-3-[(2-phenylacetyl)amino]propanoate.
What is the SMILES notation for ethyl 3-(2-chlorophenyl)-3-[(2-phenylacetyl)amino]propanoate?
The canonical SMILES for ethyl 3-(2-chlorophenyl)-3-[(2-phenylacetyl)amino]propanoate is CCOC(=O)CC(NC(=O)Cc1ccccc1)c1ccccc1Cl.
What is the InChIKey of ethyl 3-(2-chlorophenyl)-3-[(2-phenylacetyl)amino]propanoate?
The InChIKey is BMFSZGZNTNPNRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO3/c1-2-24-19(23)13-17(15-10-6-7-11-16(15)20)21-18(22)12-14-8-4-3-5-9-14/h3-11,17H,2,12-13H2,1H3,(H,21,22).
What are the key properties of ethyl 3-(2-chlorophenyl)-3-[(2-phenylacetyl)amino]propanoate?
ethyl 3-(2-chlorophenyl)-3-[(2-phenylacetyl)amino]propanoate has a molecular weight of 345.83 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-chlorophenyl)-3-[(2-phenylacetyl)amino]propanoate is sourced from PubChem (CID 4028833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).