N-[3-fluoro-4-[[2-(2-iminoethyl)-3-pyridinyl]oxy]phenyl]-2-(4-fluorophenyl)acetamide

C21H17F2N3O2 — CID 123915427

IUPACN-[3-fluoro-4-[[2-(2-iminoethyl)-3-pyridinyl]oxy]phenyl]-2-(4-fluorophenyl)acetamide
SMILES[H]/N=C/Cc1ncccc1Oc1ccc(NC(=O)Cc2ccc(F)cc2)cc1F
InChIInChI=1S/C21H17F2N3O2/c22-15-5-3-14(4-6-15)12-21(27)26-16-7-8-19(17(23)13-16)28-20-2-1-11-25-18(20)9-10-24/h1-8,10-11,13,24H,9,12H2,(H,26,27)/b24-10+
InChIKeyNAYALCOFCWDGAE-YSURURNPSA-N
MW381.38 g/mol
LogP4.53
Rot. Bonds7

About N-[3-fluoro-4-[[2-(2-iminoethyl)-3-pyridinyl]oxy]phenyl]-2-(4-fluorophenyl)acetamide

N-[3-fluoro-4-[[2-(2-iminoethyl)-3-pyridinyl]oxy]phenyl]-2-(4-fluorophenyl)acetamide (PubChem CID 123915427) has the molecular formula C21H17F2N3O2 and a molecular weight of 381.38 g/mol. Its IUPAC name is N-[3-fluoro-4-[[2-(2-iminoethyl)-3-pyridinyl]oxy]phenyl]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[3-fluoro-4-[[2-(2-iminoethyl)-3-pyridinyl]oxy]phenyl]-2-(4-fluorophenyl)acetamide
PubChem CID123915427
Molecular FormulaC21H17F2N3O2
Molecular Weight381.38 g/mol
Exact Mass381.13
IUPAC NameN-[3-fluoro-4-[[2-(2-iminoethyl)-3-pyridinyl]oxy]phenyl]-2-(4-fluorophenyl)acetamide
SMILES[H]/N=C/Cc1ncccc1Oc1ccc(NC(=O)Cc2ccc(F)cc2)cc1F
InChIInChI=1S/C21H17F2N3O2/c22-15-5-3-14(4-6-15)12-21(27)26-16-7-8-19(17(23)13-16)28-20-2-1-11-25-18(20)9-10-24/h1-8,10-11,13,24H,9,12H2,(H,26,27)/b24-10+
InChIKeyNAYALCOFCWDGAE-YSURURNPSA-N
XLogP4.53
TPSA75.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.38
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(4-fluorophenyl) N-[3-fluoro-4-[[2-(2-iminoethyl)-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxy]phenyl]carbamate
CID 123972789
N-[3-fluoro-4-[[2-(2-iminoethyl)-5-(pyridin-2-ylamino)-3-pyridinyl]oxy]phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
CID 123837784
2-(4-fluorophenyl)-N-[[3-fluoro-4-[(3-pyridin-2-yl-4-pyridinyl)oxy]phenyl]carbamoyl]acetamide
CID 70791054
N-[4-[(2-amino-3-ethenyl-4-pyridinyl)oxy]-3-fluorophenyl]-2-(4-chlorophenyl)acetamide
CID 143062235
N-[[3-fluoro-4-[[3-(2-hydroxyethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]phenyl]carbamoyl]-2-(4-fluorophenyl)acetamide
CID 21081474
N-[3-fluoro-4-[[2-(2-iminoethyl)-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxy]phenyl]-1-(4-fluorophenyl)-6-methyl-2-oxopyridine-3-carboxamide
CID 123500318
N-(3-fluoro-4-hydroxyphenyl)-2-(3-methyl-2-pyridinyl)acetamide
CID 107148151
N-(4-fluorophenyl)-2-pyridin-4-ylacetamide
CID 110697317
N-[4-(2-cyanophenoxy)-3-fluorophenyl]-2-(1H-indazol-5-yl)acetamide
CID 166221555
N-(3-fluoro-4-methoxyphenyl)-2-(4-methoxyphenyl)acetamide
CID 110776473
2-[4-[2-amino-4-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-3-pyridinyl]phenyl]acetamide
CID 25195743
2-(4-aminophenyl)-N-(4-ethoxy-3-fluorophenyl)acetamide
CID 115738458

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-[[2-(2-iminoethyl)-3-pyridinyl]oxy]phenyl]-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-[3-fluoro-4-[[2-(2-iminoethyl)-3-pyridinyl]oxy]phenyl]-2-(4-fluorophenyl)acetamide (CID 123915427) is N-[3-fluoro-4-[[2-(2-iminoethyl)-3-pyridinyl]oxy]phenyl]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-[3-fluoro-4-[[2-(2-iminoethyl)-3-pyridinyl]oxy]phenyl]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-[3-fluoro-4-[[2-(2-iminoethyl)-3-pyridinyl]oxy]phenyl]-2-(4-fluorophenyl)acetamide is [H]/N=C/Cc1ncccc1Oc1ccc(NC(=O)Cc2ccc(F)cc2)cc1F.
What is the InChIKey of N-[3-fluoro-4-[[2-(2-iminoethyl)-3-pyridinyl]oxy]phenyl]-2-(4-fluorophenyl)acetamide?
The InChIKey is NAYALCOFCWDGAE-YSURURNPSA-N. The full InChI is InChI=1S/C21H17F2N3O2/c22-15-5-3-14(4-6-15)12-21(27)26-16-7-8-19(17(23)13-16)28-20-2-1-11-25-18(20)9-10-24/h1-8,10-11,13,24H,9,12H2,(H,26,27)/b24-10+.
What are the key properties of N-[3-fluoro-4-[[2-(2-iminoethyl)-3-pyridinyl]oxy]phenyl]-2-(4-fluorophenyl)acetamide?
N-[3-fluoro-4-[[2-(2-iminoethyl)-3-pyridinyl]oxy]phenyl]-2-(4-fluorophenyl)acetamide has a molecular weight of 381.38 g/mol, XLogP of 4.53, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-[[2-(2-iminoethyl)-3-pyridinyl]oxy]phenyl]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 123915427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).