2-[4-[2-[3-(4-chlorophenyl)propanoylamino]ethyl]phenoxy]acetic acid

C19H20ClNO4 — CID 119255572

IUPAC2-[4-[2-[3-(4-chlorophenyl)propanoylamino]ethyl]phenoxy]acetic acid
SMILESO=C(O)COc1ccc(CCNC(=O)CCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H20ClNO4/c20-16-6-1-14(2-7-16)5-10-18(22)21-12-11-15-3-8-17(9-4-15)25-13-19(23)24/h1-4,6-9H,5,10-13H2,(H,21,22)(H,23,24)
InChIKeyGUXKRDMZEJUNAS-UHFFFAOYSA-N
MW361.83 g/mol
LogP3.09
Rot. Bonds9

About 2-[4-[2-[3-(4-chlorophenyl)propanoylamino]ethyl]phenoxy]acetic acid

2-[4-[2-[3-(4-chlorophenyl)propanoylamino]ethyl]phenoxy]acetic acid (PubChem CID 119255572) has the molecular formula C19H20ClNO4 and a molecular weight of 361.83 g/mol. Its IUPAC name is 2-[4-[2-[3-(4-chlorophenyl)propanoylamino]ethyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[2-[3-(4-chlorophenyl)propanoylamino]ethyl]phenoxy]acetic acid
PubChem CID119255572
Molecular FormulaC19H20ClNO4
Molecular Weight361.83 g/mol
Exact Mass361.11
IUPAC Name2-[4-[2-[3-(4-chlorophenyl)propanoylamino]ethyl]phenoxy]acetic acid
SMILESO=C(O)COc1ccc(CCNC(=O)CCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H20ClNO4/c20-16-6-1-14(2-7-16)5-10-18(22)21-12-11-15-3-8-17(9-4-15)25-13-19(23)24/h1-4,6-9H,5,10-13H2,(H,21,22)(H,23,24)
InChIKeyGUXKRDMZEJUNAS-UHFFFAOYSA-N
XLogP3.09
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[2-[3-(4-methoxyphenyl)propanoylamino]ethyl]phenoxy]acetic acid
CID 119255722
2-[4-[2-[3-(5-chlorothiophen-2-yl)propanoylamino]ethyl]phenoxy]acetic acid
CID 119255845
2-[4-[2-(3-methoxypropanoylamino)ethyl]phenoxy]acetic acid
CID 119255509
N-[2-(4-chlorophenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 2632440
2-[4-[2-[3-(4-fluorophenyl)sulfanylpropanoylamino]ethyl]phenoxy]acetic acid
CID 119255389
2-[4-[2-[3-[3-(methylcarbamoyl)phenyl]propanoylamino]ethyl]phenoxy]acetic acid
CID 120528991
bis(2-(4-chlorophenoxy)acetic acid);zinc
CID 11201418
2-[4-[2-(3-ethylpentanoylamino)ethyl]phenoxy]acetic acid
CID 120529071
2-[4-[2-(methylamino)ethyl]phenoxy]acetic acid
CID 22961946
2-(4-chlorophenoxy)-N-[2-(3-chlorophenyl)ethyl]acetamide
CID 1370971
2-[4-[2-[[2-(trifluoromethylsulfanyl)acetyl]amino]ethyl]phenoxy]acetic acid
CID 119255439
N-[2-(4-chlorophenyl)ethyl]butanamide
CID 60628099

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[3-(4-chlorophenyl)propanoylamino]ethyl]phenoxy]acetic acid?
The IUPAC name of 2-[4-[2-[3-(4-chlorophenyl)propanoylamino]ethyl]phenoxy]acetic acid (CID 119255572) is 2-[4-[2-[3-(4-chlorophenyl)propanoylamino]ethyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-[2-[3-(4-chlorophenyl)propanoylamino]ethyl]phenoxy]acetic acid?
The canonical SMILES for 2-[4-[2-[3-(4-chlorophenyl)propanoylamino]ethyl]phenoxy]acetic acid is O=C(O)COc1ccc(CCNC(=O)CCc2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-[4-[2-[3-(4-chlorophenyl)propanoylamino]ethyl]phenoxy]acetic acid?
The InChIKey is GUXKRDMZEJUNAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO4/c20-16-6-1-14(2-7-16)5-10-18(22)21-12-11-15-3-8-17(9-4-15)25-13-19(23)24/h1-4,6-9H,5,10-13H2,(H,21,22)(H,23,24).
What are the key properties of 2-[4-[2-[3-(4-chlorophenyl)propanoylamino]ethyl]phenoxy]acetic acid?
2-[4-[2-[3-(4-chlorophenyl)propanoylamino]ethyl]phenoxy]acetic acid has a molecular weight of 361.83 g/mol, XLogP of 3.09, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[3-(4-chlorophenyl)propanoylamino]ethyl]phenoxy]acetic acid is sourced from PubChem (CID 119255572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).