2-[4-[2-(2,4-dichlorophenoxy)propanoylamino]phenoxy]acetic acid

C17H15Cl2NO5 — CID 2950746

IUPAC2-[4-[2-(2,4-dichlorophenoxy)propanoylamino]phenoxy]acetic acid
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(OCC(=O)O)cc1
InChIInChI=1S/C17H15Cl2NO5/c1-10(25-15-7-2-11(18)8-14(15)19)17(23)20-12-3-5-13(6-4-12)24-9-16(21)22/h2-8,10H,9H2,1H3,(H,20,23)(H,21,22)
InChIKeyFERZXNOBRKDQGG-UHFFFAOYSA-N
MW384.22 g/mol
LogP3.86
Rot. Bonds7

About 2-[4-[2-(2,4-dichlorophenoxy)propanoylamino]phenoxy]acetic acid

2-[4-[2-(2,4-dichlorophenoxy)propanoylamino]phenoxy]acetic acid (PubChem CID 2950746) has the molecular formula C17H15Cl2NO5 and a molecular weight of 384.22 g/mol. Its IUPAC name is 2-[4-[2-(2,4-dichlorophenoxy)propanoylamino]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[2-(2,4-dichlorophenoxy)propanoylamino]phenoxy]acetic acid
PubChem CID2950746
Molecular FormulaC17H15Cl2NO5
Molecular Weight384.22 g/mol
Exact Mass383.03
IUPAC Name2-[4-[2-(2,4-dichlorophenoxy)propanoylamino]phenoxy]acetic acid
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(OCC(=O)O)cc1
InChIInChI=1S/C17H15Cl2NO5/c1-10(25-15-7-2-11(18)8-14(15)19)17(23)20-12-3-5-13(6-4-12)24-9-16(21)22/h2-8,10H,9H2,1H3,(H,20,23)(H,21,22)
InChIKeyFERZXNOBRKDQGG-UHFFFAOYSA-N
XLogP3.86
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.22
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(R,S)-2-(2,4-dichloro-m-tolyloxy)propionanilide
CID 93482
Mls002693844
CID 252028
Zinc00711147
CID 1039828
4-(2,4-dichlorophenoxy)-N-phenylbutanamide
CID 2169139
N-(4-(2,4-Dichlorophenoxy)phenyl)acetamide
CID 3017018
N-(3-chloro-4-methoxyphenyl)-2-phenoxyacetamide
CID 838230
2-[2-Fluoro-4-(2-phenoxypropanoylamino)phenoxy]acetic acid
CID 122189672
2-[2-Fluoro-4-[2-(2-fluorophenoxy)propanoylamino]phenoxy]acetic acid
CID 122189676
4-(2,4-dichlorophenoxy)-N-(2-fluorophenyl)butanamide
CID 2227430
2-(2,4-Dichlorophenoxy)-N-(3-methylphenyl)acetamide
CID 668137
N-(5-chloro-2-hydroxyphenyl)-2-(2-chlorophenoxy)acetamide
CID 893676
[2-[2-(Difluoromethoxy)anilino]-2-oxoethyl] 2-(2-chlorophenoxy)acetate
CID 2085749

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2,4-dichlorophenoxy)propanoylamino]phenoxy]acetic acid?
The IUPAC name of 2-[4-[2-(2,4-dichlorophenoxy)propanoylamino]phenoxy]acetic acid (CID 2950746) is 2-[4-[2-(2,4-dichlorophenoxy)propanoylamino]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-[2-(2,4-dichlorophenoxy)propanoylamino]phenoxy]acetic acid?
The canonical SMILES for 2-[4-[2-(2,4-dichlorophenoxy)propanoylamino]phenoxy]acetic acid is CC(Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(OCC(=O)O)cc1.
What is the InChIKey of 2-[4-[2-(2,4-dichlorophenoxy)propanoylamino]phenoxy]acetic acid?
The InChIKey is FERZXNOBRKDQGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2NO5/c1-10(25-15-7-2-11(18)8-14(15)19)17(23)20-12-3-5-13(6-4-12)24-9-16(21)22/h2-8,10H,9H2,1H3,(H,20,23)(H,21,22).
What are the key properties of 2-[4-[2-(2,4-dichlorophenoxy)propanoylamino]phenoxy]acetic acid?
2-[4-[2-(2,4-dichlorophenoxy)propanoylamino]phenoxy]acetic acid has a molecular weight of 384.22 g/mol, XLogP of 3.86, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2,4-dichlorophenoxy)propanoylamino]phenoxy]acetic acid is sourced from PubChem (CID 2950746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).