2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-ethylamino]acetic acid

C13H17ClN2O4 — CID 61013224

IUPAC2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-ethylamino]acetic acid
SMILESCCN(CC(=O)O)CC(=O)Nc1cc(Cl)ccc1OC
InChIInChI=1S/C13H17ClN2O4/c1-3-16(8-13(18)19)7-12(17)15-10-6-9(14)4-5-11(10)20-2/h4-6H,3,7-8H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyQLCHANSRGQLYTN-UHFFFAOYSA-N
MW300.74 g/mol
LogP1.69
Rot. Bonds7

About 2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-ethylamino]acetic acid

2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-ethylamino]acetic acid (PubChem CID 61013224) has the molecular formula C13H17ClN2O4 and a molecular weight of 300.74 g/mol. Its IUPAC name is 2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-ethylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-ethylamino]acetic acid
PubChem CID61013224
Molecular FormulaC13H17ClN2O4
Molecular Weight300.74 g/mol
Exact Mass300.09
IUPAC Name2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-ethylamino]acetic acid
SMILESCCN(CC(=O)O)CC(=O)Nc1cc(Cl)ccc1OC
InChIInChI=1S/C13H17ClN2O4/c1-3-16(8-13(18)19)7-12(17)15-10-6-9(14)4-5-11(10)20-2/h4-6H,3,7-8H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyQLCHANSRGQLYTN-UHFFFAOYSA-N
XLogP1.69
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.74
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-ethylamino]acetic acid with MolForge

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Related Compounds

2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-propylamino]acetic acid
CID 61007235
2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-ethylamino]-N-(2-methoxyphenyl)acetamide
CID 9029907
2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide
CID 27201468
N-(4-chloro-2,5-dimethoxyphenyl)-2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]acetamide
CID 24565573
N-(5-chloro-2-methoxyphenyl)-2-[ethyl(thiophen-2-ylmethyl)amino]acetamide
CID 8718180
2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-ethylamino]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 2549104
2-[[2-[benzyl(ethyl)amino]acetyl]-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 8563570
2-(diethylamino)-N-(2,5-dimethoxyphenyl)acetamide
CID 11666162
2-[[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 9222334
2-chloro-N-(5-chloro-2-methoxyphenyl)acetamide
CID 776663
5-(5-chloro-2-methoxyanilino)-3-ethyl-3-methyl-5-oxopentanoic acid
CID 129040731
2-(diethylamino)-N-(5-ethyl-2-methoxyphenyl)acetamide
CID 18383

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-ethylamino]acetic acid?
The IUPAC name of 2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-ethylamino]acetic acid (CID 61013224) is 2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-ethylamino]acetic acid.
What is the SMILES notation for 2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-ethylamino]acetic acid?
The canonical SMILES for 2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-ethylamino]acetic acid is CCN(CC(=O)O)CC(=O)Nc1cc(Cl)ccc1OC.
What is the InChIKey of 2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-ethylamino]acetic acid?
The InChIKey is QLCHANSRGQLYTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O4/c1-3-16(8-13(18)19)7-12(17)15-10-6-9(14)4-5-11(10)20-2/h4-6H,3,7-8H2,1-2H3,(H,15,17)(H,18,19).
What are the key properties of 2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-ethylamino]acetic acid?
2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-ethylamino]acetic acid has a molecular weight of 300.74 g/mol, XLogP of 1.69, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-ethylamino]acetic acid is sourced from PubChem (CID 61013224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).