2-(3-chlorophenoxy)ethyl 2-[(3-fluorobenzoyl)amino]acetate

C17H15ClFNO4 — CID 16526665

IUPAC2-(3-chlorophenoxy)ethyl 2-[(3-fluorobenzoyl)amino]acetate
SMILESO=C(CNC(=O)c1cccc(F)c1)OCCOc1cccc(Cl)c1
InChIInChI=1S/C17H15ClFNO4/c18-13-4-2-6-15(10-13)23-7-8-24-16(21)11-20-17(22)12-3-1-5-14(19)9-12/h1-6,9-10H,7-8,11H2,(H,20,22)
InChIKeyIYWQBOQXYUJNJX-UHFFFAOYSA-N
MW351.76 g/mol
LogP2.83
Rot. Bonds7

About 2-(3-chlorophenoxy)ethyl 2-[(3-fluorobenzoyl)amino]acetate

2-(3-chlorophenoxy)ethyl 2-[(3-fluorobenzoyl)amino]acetate (PubChem CID 16526665) has the molecular formula C17H15ClFNO4 and a molecular weight of 351.76 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)ethyl 2-[(3-fluorobenzoyl)amino]acetate.

Molecular Properties

Compound Name2-(3-chlorophenoxy)ethyl 2-[(3-fluorobenzoyl)amino]acetate
PubChem CID16526665
Molecular FormulaC17H15ClFNO4
Molecular Weight351.76 g/mol
Exact Mass351.07
IUPAC Name2-(3-chlorophenoxy)ethyl 2-[(3-fluorobenzoyl)amino]acetate
SMILESO=C(CNC(=O)c1cccc(F)c1)OCCOc1cccc(Cl)c1
InChIInChI=1S/C17H15ClFNO4/c18-13-4-2-6-15(10-13)23-7-8-24-16(21)11-20-17(22)12-3-1-5-14(19)9-12/h1-6,9-10H,7-8,11H2,(H,20,22)
InChIKeyIYWQBOQXYUJNJX-UHFFFAOYSA-N
XLogP2.83
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.76
LogP ≤ 52.83
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-(3-methylphenoxy)ethyl 2-[(3-fluorobenzoyl)amino]acetate
CID 8662514
2-(3-chlorophenoxy)ethyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 16526656
(2,6-dichlorophenyl)methyl 2-[(3-fluorobenzoyl)amino]acetate
CID 8662771
2-(3-bromophenoxy)ethyl 2-[(4-chlorobenzoyl)amino]acetate
CID 2492843
N-[2-(4-chlorophenoxy)ethyl]-3-fluorobenzamide
CID 92748915
[2-(4-chloroanilino)-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate
CID 2548549
[2-(3,5-dichloroanilino)-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate
CID 8662792
[2-(2,5-dichloroanilino)-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate
CID 8662788
2-phenoxyethyl 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 7843771
2-(4-chlorophenoxy)ethyl 2-(naphthalene-2-carbonylamino)acetate
CID 7881097
methyl 2-[(3-chlorobenzoyl)amino]acetate
CID 669189
2-(3-bromophenoxy)ethyl 2-[(4-bromobenzoyl)amino]acetate
CID 2407342

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)ethyl 2-[(3-fluorobenzoyl)amino]acetate?
The IUPAC name of 2-(3-chlorophenoxy)ethyl 2-[(3-fluorobenzoyl)amino]acetate (CID 16526665) is 2-(3-chlorophenoxy)ethyl 2-[(3-fluorobenzoyl)amino]acetate.
What is the SMILES notation for 2-(3-chlorophenoxy)ethyl 2-[(3-fluorobenzoyl)amino]acetate?
The canonical SMILES for 2-(3-chlorophenoxy)ethyl 2-[(3-fluorobenzoyl)amino]acetate is O=C(CNC(=O)c1cccc(F)c1)OCCOc1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenoxy)ethyl 2-[(3-fluorobenzoyl)amino]acetate?
The InChIKey is IYWQBOQXYUJNJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFNO4/c18-13-4-2-6-15(10-13)23-7-8-24-16(21)11-20-17(22)12-3-1-5-14(19)9-12/h1-6,9-10H,7-8,11H2,(H,20,22).
What are the key properties of 2-(3-chlorophenoxy)ethyl 2-[(3-fluorobenzoyl)amino]acetate?
2-(3-chlorophenoxy)ethyl 2-[(3-fluorobenzoyl)amino]acetate has a molecular weight of 351.76 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)ethyl 2-[(3-fluorobenzoyl)amino]acetate is sourced from PubChem (CID 16526665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).