3-fluoro-N-[2-[[2-(2-methoxyphenoxy)acetyl]amino]ethyl]benzamide

C18H19FN2O4 — CID 108542879

IUPAC3-fluoro-N-[2-[[2-(2-methoxyphenoxy)acetyl]amino]ethyl]benzamide
SMILESCOc1ccccc1OCC(=O)NCCNC(=O)c1cccc(F)c1
InChIInChI=1S/C18H19FN2O4/c1-24-15-7-2-3-8-16(15)25-12-17(22)20-9-10-21-18(23)13-5-4-6-14(19)11-13/h2-8,11H,9-10,12H2,1H3,(H,20,22)(H,21,23)
InChIKeyFWKAZUUBHAWJMB-UHFFFAOYSA-N
MW346.36 g/mol
LogP1.76
Rot. Bonds8

About 3-fluoro-N-[2-[[2-(2-methoxyphenoxy)acetyl]amino]ethyl]benzamide

3-fluoro-N-[2-[[2-(2-methoxyphenoxy)acetyl]amino]ethyl]benzamide (PubChem CID 108542879) has the molecular formula C18H19FN2O4 and a molecular weight of 346.36 g/mol. Its IUPAC name is 3-fluoro-N-[2-[[2-(2-methoxyphenoxy)acetyl]amino]ethyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[2-[[2-(2-methoxyphenoxy)acetyl]amino]ethyl]benzamide
PubChem CID108542879
Molecular FormulaC18H19FN2O4
Molecular Weight346.36 g/mol
Exact Mass346.13
IUPAC Name3-fluoro-N-[2-[[2-(2-methoxyphenoxy)acetyl]amino]ethyl]benzamide
SMILESCOc1ccccc1OCC(=O)NCCNC(=O)c1cccc(F)c1
InChIInChI=1S/C18H19FN2O4/c1-24-15-7-2-3-8-16(15)25-12-17(22)20-9-10-21-18(23)13-5-4-6-14(19)11-13/h2-8,11H,9-10,12H2,1H3,(H,20,22)(H,21,23)
InChIKeyFWKAZUUBHAWJMB-UHFFFAOYSA-N
XLogP1.76
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[[2-(2-methoxyphenoxy)acetyl]amino]ethyl]-3,4-dimethylbenzamide
CID 108542880
N-[2-[[2-(4-ethoxyphenoxy)acetyl]amino]ethyl]-3-fluorobenzamide
CID 108542788
N-[2-(3,5-difluorophenyl)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 51101643
N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]-3-fluorobenzamide
CID 108542091
N-(2-benzamidoethyl)-4-[[2-(2-methoxyphenoxy)acetyl]amino]benzamide
CID 121063227
N-[2-(3-fluoro-N-methylsulfonylanilino)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 113071507
3-acetamido-N-[2-[[2-(2-ethoxyphenoxy)acetyl]amino]ethyl]benzamide
CID 108541135
N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 41365243
3-methoxy-N'-[2-(2-methoxyphenoxy)acetyl]benzohydrazide
CID 7720061
N-[2-(3-fluorophenyl)ethyl]-3-methoxy-4-methylbenzamide
CID 9182358
N-[2-(2-fluorophenyl)ethyl]-2-[[2-(2-methoxyphenoxy)acetyl]amino]acetamide
CID 112993325
3,4-dimethoxy-N-[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]ethyl]benzamide
CID 108537745

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-[[2-(2-methoxyphenoxy)acetyl]amino]ethyl]benzamide?
The IUPAC name of 3-fluoro-N-[2-[[2-(2-methoxyphenoxy)acetyl]amino]ethyl]benzamide (CID 108542879) is 3-fluoro-N-[2-[[2-(2-methoxyphenoxy)acetyl]amino]ethyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[2-[[2-(2-methoxyphenoxy)acetyl]amino]ethyl]benzamide?
The canonical SMILES for 3-fluoro-N-[2-[[2-(2-methoxyphenoxy)acetyl]amino]ethyl]benzamide is COc1ccccc1OCC(=O)NCCNC(=O)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[2-[[2-(2-methoxyphenoxy)acetyl]amino]ethyl]benzamide?
The InChIKey is FWKAZUUBHAWJMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O4/c1-24-15-7-2-3-8-16(15)25-12-17(22)20-9-10-21-18(23)13-5-4-6-14(19)11-13/h2-8,11H,9-10,12H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 3-fluoro-N-[2-[[2-(2-methoxyphenoxy)acetyl]amino]ethyl]benzamide?
3-fluoro-N-[2-[[2-(2-methoxyphenoxy)acetyl]amino]ethyl]benzamide has a molecular weight of 346.36 g/mol, XLogP of 1.76, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-[[2-(2-methoxyphenoxy)acetyl]amino]ethyl]benzamide is sourced from PubChem (CID 108542879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).