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

C14H19ClN2O4 — CID 61007235

IUPAC2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-propylamino]acetic acid
SMILESCCCN(CC(=O)O)CC(=O)Nc1cc(Cl)ccc1OC
InChIInChI=1S/C14H19ClN2O4/c1-3-6-17(9-14(19)20)8-13(18)16-11-7-10(15)4-5-12(11)21-2/h4-5,7H,3,6,8-9H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyWDPSRWJQBRUZGE-UHFFFAOYSA-N
MW314.77 g/mol
LogP2.08
Rot. Bonds8

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

2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-propylamino]acetic acid (PubChem CID 61007235) has the molecular formula C14H19ClN2O4 and a molecular weight of 314.77 g/mol. Its IUPAC name is 2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-propylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-propylamino]acetic acid
PubChem CID61007235
Molecular FormulaC14H19ClN2O4
Molecular Weight314.77 g/mol
Exact Mass314.10
IUPAC Name2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-propylamino]acetic acid
SMILESCCCN(CC(=O)O)CC(=O)Nc1cc(Cl)ccc1OC
InChIInChI=1S/C14H19ClN2O4/c1-3-6-17(9-14(19)20)8-13(18)16-11-7-10(15)4-5-12(11)21-2/h4-5,7H,3,6,8-9H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyWDPSRWJQBRUZGE-UHFFFAOYSA-N
XLogP2.08
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-ethylamino]acetic acid
CID 61013224
2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-ethylamino]-N-(2-methoxyphenyl)acetamide
CID 9029907
2-[[2-(5-chloro-2-cyanoanilino)-2-oxoethyl]-propylamino]-N-(2-methoxyphenyl)acetamide
CID 9168823
2-[[2-(2,4-dichloroanilino)-2-oxoethyl]-propylamino]-N-(2,4-dimethoxyphenyl)acetamide
CID 2658488
2-[2-aminoethyl(methyl)amino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 62686650
N-(5-chloro-2-methoxyphenyl)-2-[methylsulfonyl(pentyl)amino]acetamide
CID 113153482
2-[[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 9222334
2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide
CID 27201468
2-chloro-N-(5-chloro-2-methoxyphenyl)acetamide
CID 776663
N-(5-chloro-2-methoxyphenyl)-2-[2-cyanoethyl(furan-2-ylmethyl)amino]acetamide
CID 78823068
5-(5-chloro-2-methoxyanilino)-3-ethyl-3-methyl-5-oxopentanoic acid
CID 129040731
2-[acetyl(propan-2-yl)amino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 113158224

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-propylamino]acetic acid?
The IUPAC name of 2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-propylamino]acetic acid (CID 61007235) is 2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-propylamino]acetic acid.
What is the SMILES notation for 2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-propylamino]acetic acid?
The canonical SMILES for 2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-propylamino]acetic acid is CCCN(CC(=O)O)CC(=O)Nc1cc(Cl)ccc1OC.
What is the InChIKey of 2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-propylamino]acetic acid?
The InChIKey is WDPSRWJQBRUZGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O4/c1-3-6-17(9-14(19)20)8-13(18)16-11-7-10(15)4-5-12(11)21-2/h4-5,7H,3,6,8-9H2,1-2H3,(H,16,18)(H,19,20).
What are the key properties of 2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-propylamino]acetic acid?
2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-propylamino]acetic acid has a molecular weight of 314.77 g/mol, XLogP of 2.08, 8 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]-propylamino]acetic acid is sourced from PubChem (CID 61007235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).