N-[2-[[2-(4-ethoxyphenoxy)acetyl]amino]ethyl]-3-fluorobenzamide

C19H21FN2O4 — CID 108542788

IUPACN-[2-[[2-(4-ethoxyphenoxy)acetyl]amino]ethyl]-3-fluorobenzamide
SMILESCCOc1ccc(OCC(=O)NCCNC(=O)c2cccc(F)c2)cc1
InChIInChI=1S/C19H21FN2O4/c1-2-25-16-6-8-17(9-7-16)26-13-18(23)21-10-11-22-19(24)14-4-3-5-15(20)12-14/h3-9,12H,2,10-11,13H2,1H3,(H,21,23)(H,22,24)
InChIKeyWPJKVKGKKPIXCQ-UHFFFAOYSA-N
MW360.39 g/mol
LogP2.15
Rot. Bonds9

About N-[2-[[2-(4-ethoxyphenoxy)acetyl]amino]ethyl]-3-fluorobenzamide

N-[2-[[2-(4-ethoxyphenoxy)acetyl]amino]ethyl]-3-fluorobenzamide (PubChem CID 108542788) has the molecular formula C19H21FN2O4 and a molecular weight of 360.39 g/mol. Its IUPAC name is N-[2-[[2-(4-ethoxyphenoxy)acetyl]amino]ethyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[2-[[2-(4-ethoxyphenoxy)acetyl]amino]ethyl]-3-fluorobenzamide
PubChem CID108542788
Molecular FormulaC19H21FN2O4
Molecular Weight360.39 g/mol
Exact Mass360.15
IUPAC NameN-[2-[[2-(4-ethoxyphenoxy)acetyl]amino]ethyl]-3-fluorobenzamide
SMILESCCOc1ccc(OCC(=O)NCCNC(=O)c2cccc(F)c2)cc1
InChIInChI=1S/C19H21FN2O4/c1-2-25-16-6-8-17(9-7-16)26-13-18(23)21-10-11-22-19(24)14-4-3-5-15(20)12-14/h3-9,12H,2,10-11,13H2,1H3,(H,21,23)(H,22,24)
InChIKeyWPJKVKGKKPIXCQ-UHFFFAOYSA-N
XLogP2.15
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 52.15
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-(4-chlorophenoxy)acetyl]amino]ethyl]-3-fluorobenzamide
CID 108542091
3-fluoro-N-[2-[[2-(2-methoxyphenoxy)acetyl]amino]ethyl]benzamide
CID 108542879
N-[2-[[2-(4-ethoxyphenoxy)acetyl]amino]ethyl]pyridine-3-carboxamide
CID 39577143
3-fluoro-N-[2-[4-(4-methylphenoxy)butanoylamino]ethyl]benzamide
CID 108541666
3-ethoxy-N-[2-[(3-ethoxybenzoyl)amino]ethyl]benzamide
CID 4958095
N-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethyl]-3-hydroxybenzamide
CID 108541923
N-[(4-ethoxyphenyl)methyl]-2-(3-fluorophenoxy)acetamide
CID 110780897
2-chloro-N-[2-[[2-(4-ethoxyphenoxy)acetyl]amino]ethyl]benzamide
CID 46461477
N-[2-[(4-ethoxybenzoyl)amino]ethyl]-3-hydroxybenzamide
CID 108540575
3-methoxy-N-[2-[[2-(4-propylphenoxy)acetyl]amino]ethyl]benzamide
CID 108539217
N-[2-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]ethyl]-4-ethoxybenzamide
CID 108540524
N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]-3-methoxybenzamide
CID 40718388

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(4-ethoxyphenoxy)acetyl]amino]ethyl]-3-fluorobenzamide?
The IUPAC name of N-[2-[[2-(4-ethoxyphenoxy)acetyl]amino]ethyl]-3-fluorobenzamide (CID 108542788) is N-[2-[[2-(4-ethoxyphenoxy)acetyl]amino]ethyl]-3-fluorobenzamide.
What is the SMILES notation for N-[2-[[2-(4-ethoxyphenoxy)acetyl]amino]ethyl]-3-fluorobenzamide?
The canonical SMILES for N-[2-[[2-(4-ethoxyphenoxy)acetyl]amino]ethyl]-3-fluorobenzamide is CCOc1ccc(OCC(=O)NCCNC(=O)c2cccc(F)c2)cc1.
What is the InChIKey of N-[2-[[2-(4-ethoxyphenoxy)acetyl]amino]ethyl]-3-fluorobenzamide?
The InChIKey is WPJKVKGKKPIXCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O4/c1-2-25-16-6-8-17(9-7-16)26-13-18(23)21-10-11-22-19(24)14-4-3-5-15(20)12-14/h3-9,12H,2,10-11,13H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N-[2-[[2-(4-ethoxyphenoxy)acetyl]amino]ethyl]-3-fluorobenzamide?
N-[2-[[2-(4-ethoxyphenoxy)acetyl]amino]ethyl]-3-fluorobenzamide has a molecular weight of 360.39 g/mol, XLogP of 2.15, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(4-ethoxyphenoxy)acetyl]amino]ethyl]-3-fluorobenzamide is sourced from PubChem (CID 108542788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).