methyl 2-[2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethoxy]-4-methoxybenzoate

C19H19Cl2NO5 — CID 7705071

IUPACmethyl 2-[2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethoxy]-4-methoxybenzoate
SMILESCOC(=O)c1ccc(OC)cc1OCC(=O)NCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C19H19Cl2NO5/c1-25-14-5-6-15(19(24)26-2)17(10-14)27-11-18(23)22-8-7-12-3-4-13(20)9-16(12)21/h3-6,9-10H,7-8,11H2,1-2H3,(H,22,23)
InChIKeyNHPYPBXVFGSZRW-UHFFFAOYSA-N
MW412.27 g/mol
LogP3.53
Rot. Bonds8

About methyl 2-[2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethoxy]-4-methoxybenzoate

methyl 2-[2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethoxy]-4-methoxybenzoate (PubChem CID 7705071) has the molecular formula C19H19Cl2NO5 and a molecular weight of 412.27 g/mol. Its IUPAC name is methyl 2-[2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethoxy]-4-methoxybenzoate.

Molecular Properties

Compound Namemethyl 2-[2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethoxy]-4-methoxybenzoate
PubChem CID7705071
Molecular FormulaC19H19Cl2NO5
Molecular Weight412.27 g/mol
Exact Mass411.06
IUPAC Namemethyl 2-[2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethoxy]-4-methoxybenzoate
SMILESCOC(=O)c1ccc(OC)cc1OCC(=O)NCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C19H19Cl2NO5/c1-25-14-5-6-15(19(24)26-2)17(10-14)27-11-18(23)22-8-7-12-3-4-13(20)9-16(12)21/h3-6,9-10H,7-8,11H2,1-2H3,(H,22,23)
InChIKeyNHPYPBXVFGSZRW-UHFFFAOYSA-N
XLogP3.53
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.27
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2,4-dichlorophenyl)ethyl]-2-(3-methoxyphenoxy)acetamide
CID 112977363
2-(4-chlorophenoxy)-N-[2-(2,4-dimethoxyphenyl)ethyl]acetamide
CID 110601482
N-[2-(2-chloro-4-methoxyphenyl)ethyl]-2-phenoxyacetamide
CID 110789762
2-[2-(2,4-dichlorophenyl)ethylamino]-N-[2-(4-methoxyphenoxy)ethyl]acetamide
CID 109005315
N-[2-(2,4-dichlorophenyl)ethyl]-N'-(2,4-dimethoxyphenyl)oxamide
CID 108986644
3-amino-N-[2-(2-chloro-4-methoxyphenyl)ethyl]propanamide
CID 115153007
2-amino-N-[2-(2-chloro-4-methoxyphenyl)ethyl]acetamide
CID 96676269
2-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxybenzamide
CID 141052915
1-[2-(2,4-dichlorophenyl)ethyl]-3-(4-methoxyphenyl)urea
CID 108991031
2-(2,4-dichlorophenoxy)-N-[(2,5-dimethoxyphenyl)methyl]acetamide
CID 33099359
N-[2-(2,4-dichlorophenyl)ethyl]-N'-(2,5-dimethoxyphenyl)oxamide
CID 108986643
N-[2-(2,4-dichlorophenyl)ethyl]-3-[2-(3-methoxyphenyl)ethylamino]propanamide
CID 109025643

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethoxy]-4-methoxybenzoate?
The IUPAC name of methyl 2-[2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethoxy]-4-methoxybenzoate (CID 7705071) is methyl 2-[2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethoxy]-4-methoxybenzoate.
What is the SMILES notation for methyl 2-[2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethoxy]-4-methoxybenzoate?
The canonical SMILES for methyl 2-[2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethoxy]-4-methoxybenzoate is COC(=O)c1ccc(OC)cc1OCC(=O)NCCc1ccc(Cl)cc1Cl.
What is the InChIKey of methyl 2-[2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethoxy]-4-methoxybenzoate?
The InChIKey is NHPYPBXVFGSZRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2NO5/c1-25-14-5-6-15(19(24)26-2)17(10-14)27-11-18(23)22-8-7-12-3-4-13(20)9-16(12)21/h3-6,9-10H,7-8,11H2,1-2H3,(H,22,23).
What are the key properties of methyl 2-[2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethoxy]-4-methoxybenzoate?
methyl 2-[2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethoxy]-4-methoxybenzoate has a molecular weight of 412.27 g/mol, XLogP of 3.53, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethoxy]-4-methoxybenzoate is sourced from PubChem (CID 7705071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).