ethyl 2-[[2-(5-chloro-2-phenoxyphenyl)acetyl]-methylamino]acetate

C19H20ClNO4 — CID 71225987

IUPACethyl 2-[[2-(5-chloro-2-phenoxyphenyl)acetyl]-methylamino]acetate
SMILESCCOC(=O)CN(C)C(=O)Cc1cc(Cl)ccc1Oc1ccccc1
InChIInChI=1S/C19H20ClNO4/c1-3-24-19(23)13-21(2)18(22)12-14-11-15(20)9-10-17(14)25-16-7-5-4-6-8-16/h4-11H,3,12-13H2,1-2H3
InChIKeyYJMZRILDLAPMAT-UHFFFAOYSA-N
MW361.83 g/mol
LogP3.70
Rot. Bonds7

About ethyl 2-[[2-(5-chloro-2-phenoxyphenyl)acetyl]-methylamino]acetate

ethyl 2-[[2-(5-chloro-2-phenoxyphenyl)acetyl]-methylamino]acetate (PubChem CID 71225987) has the molecular formula C19H20ClNO4 and a molecular weight of 361.83 g/mol. Its IUPAC name is ethyl 2-[[2-(5-chloro-2-phenoxyphenyl)acetyl]-methylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-(5-chloro-2-phenoxyphenyl)acetyl]-methylamino]acetate
PubChem CID71225987
Molecular FormulaC19H20ClNO4
Molecular Weight361.83 g/mol
Exact Mass361.11
IUPAC Nameethyl 2-[[2-(5-chloro-2-phenoxyphenyl)acetyl]-methylamino]acetate
SMILESCCOC(=O)CN(C)C(=O)Cc1cc(Cl)ccc1Oc1ccccc1
InChIInChI=1S/C19H20ClNO4/c1-3-24-19(23)13-21(2)18(22)12-14-11-15(20)9-10-17(14)25-16-7-5-4-6-8-16/h4-11H,3,12-13H2,1-2H3
InChIKeyYJMZRILDLAPMAT-UHFFFAOYSA-N
XLogP3.70
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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4-(4-Chloro-2-methylphenoxy)-1-(4-morpholinyl)-1-butanone
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CID 117939806
(6S,9R,12R)-6-[(2S)-butan-2-yl]-12-[(3-chlorophenyl)methyl]-8,9-dimethyl-2-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosa-1(22),18,20-triene-7,10,13-trione
CID 134155656
11-Chloro-2-methyl-2,3-dihydro-1H-dibenzo[2,3:6,7]oxepino[4,5-c]pyrrol-1-one
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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(5-chloro-2-phenoxyphenyl)acetyl]-methylamino]acetate?
The IUPAC name of ethyl 2-[[2-(5-chloro-2-phenoxyphenyl)acetyl]-methylamino]acetate (CID 71225987) is ethyl 2-[[2-(5-chloro-2-phenoxyphenyl)acetyl]-methylamino]acetate.
What is the SMILES notation for ethyl 2-[[2-(5-chloro-2-phenoxyphenyl)acetyl]-methylamino]acetate?
The canonical SMILES for ethyl 2-[[2-(5-chloro-2-phenoxyphenyl)acetyl]-methylamino]acetate is CCOC(=O)CN(C)C(=O)Cc1cc(Cl)ccc1Oc1ccccc1.
What is the InChIKey of ethyl 2-[[2-(5-chloro-2-phenoxyphenyl)acetyl]-methylamino]acetate?
The InChIKey is YJMZRILDLAPMAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO4/c1-3-24-19(23)13-21(2)18(22)12-14-11-15(20)9-10-17(14)25-16-7-5-4-6-8-16/h4-11H,3,12-13H2,1-2H3.
What are the key properties of ethyl 2-[[2-(5-chloro-2-phenoxyphenyl)acetyl]-methylamino]acetate?
ethyl 2-[[2-(5-chloro-2-phenoxyphenyl)acetyl]-methylamino]acetate has a molecular weight of 361.83 g/mol, XLogP of 3.70, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(5-chloro-2-phenoxyphenyl)acetyl]-methylamino]acetate is sourced from PubChem (CID 71225987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).