N-[2-[2-(2-chlorophenoxy)ethylamino]-2-oxoethyl]-2-fluorobenzamide

C17H16ClFN2O3 — CID 579811

IUPACN-[2-[2-(2-chlorophenoxy)ethylamino]-2-oxoethyl]-2-fluorobenzamide
SMILESO=C(CNC(=O)c1ccccc1F)NCCOc1ccccc1Cl
InChIInChI=1S/C17H16ClFN2O3/c18-13-6-2-4-8-15(13)24-10-9-20-16(22)11-21-17(23)12-5-1-3-7-14(12)19/h1-8H,9-11H2,(H,20,22)(H,21,23)
InChIKeyVXWQGWYBUGTEQH-UHFFFAOYSA-N
MW350.78 g/mol
LogP2.40
Rot. Bonds7

About N-[2-[2-(2-chlorophenoxy)ethylamino]-2-oxoethyl]-2-fluorobenzamide

N-[2-[2-(2-chlorophenoxy)ethylamino]-2-oxoethyl]-2-fluorobenzamide (PubChem CID 579811) has the molecular formula C17H16ClFN2O3 and a molecular weight of 350.78 g/mol. Its IUPAC name is N-[2-[2-(2-chlorophenoxy)ethylamino]-2-oxoethyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[2-[2-(2-chlorophenoxy)ethylamino]-2-oxoethyl]-2-fluorobenzamide
PubChem CID579811
Molecular FormulaC17H16ClFN2O3
Molecular Weight350.78 g/mol
Exact Mass350.08
IUPAC NameN-[2-[2-(2-chlorophenoxy)ethylamino]-2-oxoethyl]-2-fluorobenzamide
SMILESO=C(CNC(=O)c1ccccc1F)NCCOc1ccccc1Cl
InChIInChI=1S/C17H16ClFN2O3/c18-13-6-2-4-8-15(13)24-10-9-20-16(22)11-21-17(23)12-5-1-3-7-14(12)19/h1-8H,9-11H2,(H,20,22)(H,21,23)
InChIKeyVXWQGWYBUGTEQH-UHFFFAOYSA-N
XLogP2.40
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.78
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-chlorophenoxy)ethylamino]-2-oxoethyl]-2-fluorobenzamide?
The IUPAC name of N-[2-[2-(2-chlorophenoxy)ethylamino]-2-oxoethyl]-2-fluorobenzamide (CID 579811) is N-[2-[2-(2-chlorophenoxy)ethylamino]-2-oxoethyl]-2-fluorobenzamide.
What is the SMILES notation for N-[2-[2-(2-chlorophenoxy)ethylamino]-2-oxoethyl]-2-fluorobenzamide?
The canonical SMILES for N-[2-[2-(2-chlorophenoxy)ethylamino]-2-oxoethyl]-2-fluorobenzamide is O=C(CNC(=O)c1ccccc1F)NCCOc1ccccc1Cl.
What is the InChIKey of N-[2-[2-(2-chlorophenoxy)ethylamino]-2-oxoethyl]-2-fluorobenzamide?
The InChIKey is VXWQGWYBUGTEQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN2O3/c18-13-6-2-4-8-15(13)24-10-9-20-16(22)11-21-17(23)12-5-1-3-7-14(12)19/h1-8H,9-11H2,(H,20,22)(H,21,23).
What are the key properties of N-[2-[2-(2-chlorophenoxy)ethylamino]-2-oxoethyl]-2-fluorobenzamide?
N-[2-[2-(2-chlorophenoxy)ethylamino]-2-oxoethyl]-2-fluorobenzamide has a molecular weight of 350.78 g/mol, XLogP of 2.40, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-chlorophenoxy)ethylamino]-2-oxoethyl]-2-fluorobenzamide is sourced from PubChem (CID 579811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).