2-[4-(2,3-dihydro-1H-perimidin-2-yl)-2-ethoxyphenoxy]-N-(4-fluorophenyl)acetamide

C27H24FN3O3 — CID 5201781

IUPAC2-[4-(2,3-dihydro-1H-perimidin-2-yl)-2-ethoxyphenoxy]-N-(4-fluorophenyl)acetamide
SMILESCCOc1cc(C2Nc3cccc4cccc(c34)N2)ccc1OCC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C27H24FN3O3/c1-2-33-24-15-18(27-30-21-7-3-5-17-6-4-8-22(31-27)26(17)21)9-14-23(24)34-16-25(32)29-20-12-10-19(28)11-13-20/h3-15,27,30-31H,2,16H2,1H3,(H,29,32)
InChIKeyXEBBJHZAHKGXLI-UHFFFAOYSA-N
MW457.51 g/mol
LogP5.93
Rot. Bonds7

About 2-[4-(2,3-dihydro-1H-perimidin-2-yl)-2-ethoxyphenoxy]-N-(4-fluorophenyl)acetamide

2-[4-(2,3-dihydro-1H-perimidin-2-yl)-2-ethoxyphenoxy]-N-(4-fluorophenyl)acetamide (PubChem CID 5201781) has the molecular formula C27H24FN3O3 and a molecular weight of 457.51 g/mol. Its IUPAC name is 2-[4-(2,3-dihydro-1H-perimidin-2-yl)-2-ethoxyphenoxy]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-(2,3-dihydro-1H-perimidin-2-yl)-2-ethoxyphenoxy]-N-(4-fluorophenyl)acetamide
PubChem CID5201781
Molecular FormulaC27H24FN3O3
Molecular Weight457.51 g/mol
Exact Mass457.18
IUPAC Name2-[4-(2,3-dihydro-1H-perimidin-2-yl)-2-ethoxyphenoxy]-N-(4-fluorophenyl)acetamide
SMILESCCOc1cc(C2Nc3cccc4cccc(c34)N2)ccc1OCC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C27H24FN3O3/c1-2-33-24-15-18(27-30-21-7-3-5-17-6-4-8-22(31-27)26(17)21)9-14-23(24)34-16-25(32)29-20-12-10-19(28)11-13-20/h3-15,27,30-31H,2,16H2,1H3,(H,29,32)
InChIKeyXEBBJHZAHKGXLI-UHFFFAOYSA-N
XLogP5.93
TPSA71.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.51
LogP ≤ 55.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'naphth_amino_B(25)', 'substructure': 'N/A'}

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Related Compounds

3-ethoxy-4-[2-(4-fluoroanilino)-2-oxoethoxy]benzoic acid
CID 3976698
N-(3,4-diethoxyphenyl)-2-naphthalen-1-yloxyacetamide
CID 7860223
2-[2-ethoxy-4-(5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)phenoxy]-N-(4-fluorophenyl)acetamide
CID 3985871
2-[2-ethoxy-4-(3,3,6,6-tetramethyl-1,8-dioxo-2,4,5,7,9,10-hexahydroacridin-9-yl)phenoxy]-N-(4-fluorophenyl)acetamide
CID 126369111
N'-[(Z)-[3-ethoxy-4-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-fluorophenyl)oxamide
CID 126270834
N-cyclopropyl-N'-[(Z)-[3-ethoxy-4-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 126257689
N-(4-tert-butylphenyl)-2-(2-ethoxyphenoxy)acetamide
CID 7914312
N-(4-ethoxy-3-fluorophenyl)-2-(2-fluorophenoxy)acetamide
CID 110777396
N'-[(Z)-[3-ethoxy-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]phenyl]methylideneamino]-N-(4-fluorophenyl)oxamide
CID 126162208
2-(2-ethoxyphenoxy)-N-(4-methylsulfanylphenyl)acetamide
CID 24581463
2-(2-ethoxyphenoxy)-N-[3-[(4-fluorophenyl)methoxy]phenyl]acetamide
CID 55577983
2-(2,4-difluorophenoxy)-N-(4-fluorophenyl)acetamide
CID 580280

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,3-dihydro-1H-perimidin-2-yl)-2-ethoxyphenoxy]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[4-(2,3-dihydro-1H-perimidin-2-yl)-2-ethoxyphenoxy]-N-(4-fluorophenyl)acetamide (CID 5201781) is 2-[4-(2,3-dihydro-1H-perimidin-2-yl)-2-ethoxyphenoxy]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[4-(2,3-dihydro-1H-perimidin-2-yl)-2-ethoxyphenoxy]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[4-(2,3-dihydro-1H-perimidin-2-yl)-2-ethoxyphenoxy]-N-(4-fluorophenyl)acetamide is CCOc1cc(C2Nc3cccc4cccc(c34)N2)ccc1OCC(=O)Nc1ccc(F)cc1.
What is the InChIKey of 2-[4-(2,3-dihydro-1H-perimidin-2-yl)-2-ethoxyphenoxy]-N-(4-fluorophenyl)acetamide?
The InChIKey is XEBBJHZAHKGXLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24FN3O3/c1-2-33-24-15-18(27-30-21-7-3-5-17-6-4-8-22(31-27)26(17)21)9-14-23(24)34-16-25(32)29-20-12-10-19(28)11-13-20/h3-15,27,30-31H,2,16H2,1H3,(H,29,32).
What are the key properties of 2-[4-(2,3-dihydro-1H-perimidin-2-yl)-2-ethoxyphenoxy]-N-(4-fluorophenyl)acetamide?
2-[4-(2,3-dihydro-1H-perimidin-2-yl)-2-ethoxyphenoxy]-N-(4-fluorophenyl)acetamide has a molecular weight of 457.51 g/mol, XLogP of 5.93, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,3-dihydro-1H-perimidin-2-yl)-2-ethoxyphenoxy]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 5201781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).