methyl 4-chloro-3-[[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]amino]benzoate

C19H21ClN2O4 — CID 109001310

IUPACmethyl 4-chloro-3-[[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]amino]benzoate
SMILESCOC(=O)c1ccc(Cl)c(NCC(=O)NCCc2ccc(OC)cc2)c1
InChIInChI=1S/C19H21ClN2O4/c1-25-15-6-3-13(4-7-15)9-10-21-18(23)12-22-17-11-14(19(24)26-2)5-8-16(17)20/h3-8,11,22H,9-10,12H2,1-2H3,(H,21,23)
InChIKeyJWORUVDFWUCXKD-UHFFFAOYSA-N
MW376.84 g/mol
LogP2.91
Rot. Bonds8

About methyl 4-chloro-3-[[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]amino]benzoate

methyl 4-chloro-3-[[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]amino]benzoate (PubChem CID 109001310) has the molecular formula C19H21ClN2O4 and a molecular weight of 376.84 g/mol. Its IUPAC name is methyl 4-chloro-3-[[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-chloro-3-[[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]amino]benzoate
PubChem CID109001310
Molecular FormulaC19H21ClN2O4
Molecular Weight376.84 g/mol
Exact Mass376.12
IUPAC Namemethyl 4-chloro-3-[[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]amino]benzoate
SMILESCOC(=O)c1ccc(Cl)c(NCC(=O)NCCc2ccc(OC)cc2)c1
InChIInChI=1S/C19H21ClN2O4/c1-25-15-6-3-13(4-7-15)9-10-21-18(23)12-22-17-11-14(19(24)26-2)5-8-16(17)20/h3-8,11,22H,9-10,12H2,1-2H3,(H,21,23)
InChIKeyJWORUVDFWUCXKD-UHFFFAOYSA-N
XLogP2.91
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.84
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 4-chloro-3-[[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]amino]benzoate with MolForge

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Related Compounds

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CID 109000570
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methyl 4-chloro-3-[3-[2-(4-methoxyphenyl)ethylamino]propanoylamino]benzoate
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2-(4-bromo-2-chloroanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide
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methyl 4-[2-[[2-(4-methoxyphenoxy)acetyl]amino]ethyl]benzoate
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methyl 3-[2-(4-methoxyphenyl)ethylcarbamothioylamino]-4-methylbenzoate
CID 92512411
methyl 4-chloro-3-[2-(4-fluorophenyl)ethylcarbamoylamino]benzoate
CID 108989193
methyl 4-chloro-3-[[2-[2-(3-methoxyphenyl)ethylamino]acetyl]amino]benzoate
CID 109000946
4-fluoro-N-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]benzamide
CID 27548793
methyl 4-chloro-3-[[2-(cyclopropylamino)-2-oxoethyl]amino]benzoate
CID 108992903
methyl 4-chloro-3-[[2-(2-phenylethylamino)acetyl]amino]benzoate
CID 108999940

Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-3-[[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]amino]benzoate?
The IUPAC name of methyl 4-chloro-3-[[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]amino]benzoate (CID 109001310) is methyl 4-chloro-3-[[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]amino]benzoate.
What is the SMILES notation for methyl 4-chloro-3-[[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]amino]benzoate?
The canonical SMILES for methyl 4-chloro-3-[[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]amino]benzoate is COC(=O)c1ccc(Cl)c(NCC(=O)NCCc2ccc(OC)cc2)c1.
What is the InChIKey of methyl 4-chloro-3-[[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]amino]benzoate?
The InChIKey is JWORUVDFWUCXKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O4/c1-25-15-6-3-13(4-7-15)9-10-21-18(23)12-22-17-11-14(19(24)26-2)5-8-16(17)20/h3-8,11,22H,9-10,12H2,1-2H3,(H,21,23).
What are the key properties of methyl 4-chloro-3-[[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]amino]benzoate?
methyl 4-chloro-3-[[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]amino]benzoate has a molecular weight of 376.84 g/mol, XLogP of 2.91, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-3-[[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]amino]benzoate is sourced from PubChem (CID 109001310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).