2-phenoxyethyl 2-[(2,4-dichlorobenzoyl)amino]acetate

C17H15Cl2NO4 — CID 7843771

IUPAC2-phenoxyethyl 2-[(2,4-dichlorobenzoyl)amino]acetate
SMILESO=C(CNC(=O)c1ccc(Cl)cc1Cl)OCCOc1ccccc1
InChIInChI=1S/C17H15Cl2NO4/c18-12-6-7-14(15(19)10-12)17(22)20-11-16(21)24-9-8-23-13-4-2-1-3-5-13/h1-7,10H,8-9,11H2,(H,20,22)
InChIKeyQOHWDIFHQNXTBG-UHFFFAOYSA-N
MW368.22 g/mol
LogP3.35
Rot. Bonds7

About 2-phenoxyethyl 2-[(2,4-dichlorobenzoyl)amino]acetate

2-phenoxyethyl 2-[(2,4-dichlorobenzoyl)amino]acetate (PubChem CID 7843771) has the molecular formula C17H15Cl2NO4 and a molecular weight of 368.22 g/mol. Its IUPAC name is 2-phenoxyethyl 2-[(2,4-dichlorobenzoyl)amino]acetate.

Molecular Properties

Compound Name2-phenoxyethyl 2-[(2,4-dichlorobenzoyl)amino]acetate
PubChem CID7843771
Molecular FormulaC17H15Cl2NO4
Molecular Weight368.22 g/mol
Exact Mass367.04
IUPAC Name2-phenoxyethyl 2-[(2,4-dichlorobenzoyl)amino]acetate
SMILESO=C(CNC(=O)c1ccc(Cl)cc1Cl)OCCOc1ccccc1
InChIInChI=1S/C17H15Cl2NO4/c18-12-6-7-14(15(19)10-12)17(22)20-11-16(21)24-9-8-23-13-4-2-1-3-5-13/h1-7,10H,8-9,11H2,(H,20,22)
InChIKeyQOHWDIFHQNXTBG-UHFFFAOYSA-N
XLogP3.35
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.22
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-ethoxyphenoxy)ethyl 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 7843780
2,4-dichloro-N-[2-(2-phenoxyethoxy)phenyl]benzamide
CID 17130832
2-oxopropyl 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 7843867
2-(3-chlorophenoxy)ethyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 16526656
[2-(4-ethoxyphenyl)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 9270722
(2-ethoxyphenyl)methyl 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 9270866
(4-oxo-4-thiophen-2-ylbutyl) 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 7843773
[2-oxo-2-(4-phenylanilino)ethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 35945777
2-(4-chlorophenoxy)ethyl 2-(naphthalene-2-carbonylamino)acetate
CID 7881097
1-(2,4-dichlorophenyl)-2-(2-phenoxyethoxy)ethanone
CID 43798625
benzyl 2-[(2,5-dichlorobenzoyl)amino]acetate
CID 26878280
2-(3-chlorophenoxy)ethyl 2-[(3-fluorobenzoyl)amino]acetate
CID 16526665

Frequently Asked Questions

What is the IUPAC name of 2-phenoxyethyl 2-[(2,4-dichlorobenzoyl)amino]acetate?
The IUPAC name of 2-phenoxyethyl 2-[(2,4-dichlorobenzoyl)amino]acetate (CID 7843771) is 2-phenoxyethyl 2-[(2,4-dichlorobenzoyl)amino]acetate.
What is the SMILES notation for 2-phenoxyethyl 2-[(2,4-dichlorobenzoyl)amino]acetate?
The canonical SMILES for 2-phenoxyethyl 2-[(2,4-dichlorobenzoyl)amino]acetate is O=C(CNC(=O)c1ccc(Cl)cc1Cl)OCCOc1ccccc1.
What is the InChIKey of 2-phenoxyethyl 2-[(2,4-dichlorobenzoyl)amino]acetate?
The InChIKey is QOHWDIFHQNXTBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2NO4/c18-12-6-7-14(15(19)10-12)17(22)20-11-16(21)24-9-8-23-13-4-2-1-3-5-13/h1-7,10H,8-9,11H2,(H,20,22).
What are the key properties of 2-phenoxyethyl 2-[(2,4-dichlorobenzoyl)amino]acetate?
2-phenoxyethyl 2-[(2,4-dichlorobenzoyl)amino]acetate has a molecular weight of 368.22 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxyethyl 2-[(2,4-dichlorobenzoyl)amino]acetate is sourced from PubChem (CID 7843771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).