2-[4-[1-[(3-fluorophenyl)methyl]triazol-4-yl]phenoxy]-N-naphthalen-2-ylacetamide

C27H21FN4O2 — CID 71230463

IUPAC2-[4-[1-[(3-fluorophenyl)methyl]triazol-4-yl]phenoxy]-N-naphthalen-2-ylacetamide
SMILESO=C(COc1ccc(-c2cn(Cc3cccc(F)c3)nn2)cc1)Nc1ccc2ccccc2c1
InChIInChI=1S/C27H21FN4O2/c28-23-7-3-4-19(14-23)16-32-17-26(30-31-32)21-9-12-25(13-10-21)34-18-27(33)29-24-11-8-20-5-1-2-6-22(20)15-24/h1-15,17H,16,18H2,(H,29,33)
InChIKeySUDISYOYBDTARL-UHFFFAOYSA-N
MW452.49 g/mol
LogP5.30
Rot. Bonds7

About 2-[4-[1-[(3-fluorophenyl)methyl]triazol-4-yl]phenoxy]-N-naphthalen-2-ylacetamide

2-[4-[1-[(3-fluorophenyl)methyl]triazol-4-yl]phenoxy]-N-naphthalen-2-ylacetamide (PubChem CID 71230463) has the molecular formula C27H21FN4O2 and a molecular weight of 452.49 g/mol. Its IUPAC name is 2-[4-[1-[(3-fluorophenyl)methyl]triazol-4-yl]phenoxy]-N-naphthalen-2-ylacetamide.

Molecular Properties

Compound Name2-[4-[1-[(3-fluorophenyl)methyl]triazol-4-yl]phenoxy]-N-naphthalen-2-ylacetamide
PubChem CID71230463
Molecular FormulaC27H21FN4O2
Molecular Weight452.49 g/mol
Exact Mass452.16
IUPAC Name2-[4-[1-[(3-fluorophenyl)methyl]triazol-4-yl]phenoxy]-N-naphthalen-2-ylacetamide
SMILESO=C(COc1ccc(-c2cn(Cc3cccc(F)c3)nn2)cc1)Nc1ccc2ccccc2c1
InChIInChI=1S/C27H21FN4O2/c28-23-7-3-4-19(14-23)16-32-17-26(30-31-32)21-9-12-25(13-10-21)34-18-27(33)29-24-11-8-20-5-1-2-6-22(20)15-24/h1-15,17H,16,18H2,(H,29,33)
InChIKeySUDISYOYBDTARL-UHFFFAOYSA-N
XLogP5.30
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.49
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-naphthalen-2-yl-2-naphthalen-2-yloxyacetamide
CID 879369
2-(4-fluorophenoxy)-N-[4-(1H-indol-2-yl)phenyl]acetamide
CID 46334514
4-[2-(3-fluoroanilino)-2-oxoethoxy]benzamide
CID 7931240
N-naphthalen-2-yl-2-[4-(pyridin-3-ylmethoxy)phenoxy]acetamide
CID 71939692
1-benzyl-4-(4-methoxyphenyl)triazole
CID 159416522
2-naphthalen-2-yloxy-N-(4-phenylmethoxyphenyl)acetamide
CID 1352449
2-[4-(4-cyanophenyl)phenoxy]-N-(3-fluorophenyl)acetamide
CID 7966651
4-(4-ethoxyphenyl)-1-[(3-methylphenyl)methyl]triazole
CID 132549186
2-(4-fluorophenoxy)-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide
CID 17359046
2-naphthalen-2-yloxy-N-[4-(thiadiazol-4-yl)phenyl]acetamide
CID 55984946
2-(4-ethoxyphenoxy)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 39694973
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-2-naphthalen-2-yloxyacetamide
CID 19407577

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-[(3-fluorophenyl)methyl]triazol-4-yl]phenoxy]-N-naphthalen-2-ylacetamide?
The IUPAC name of 2-[4-[1-[(3-fluorophenyl)methyl]triazol-4-yl]phenoxy]-N-naphthalen-2-ylacetamide (CID 71230463) is 2-[4-[1-[(3-fluorophenyl)methyl]triazol-4-yl]phenoxy]-N-naphthalen-2-ylacetamide.
What is the SMILES notation for 2-[4-[1-[(3-fluorophenyl)methyl]triazol-4-yl]phenoxy]-N-naphthalen-2-ylacetamide?
The canonical SMILES for 2-[4-[1-[(3-fluorophenyl)methyl]triazol-4-yl]phenoxy]-N-naphthalen-2-ylacetamide is O=C(COc1ccc(-c2cn(Cc3cccc(F)c3)nn2)cc1)Nc1ccc2ccccc2c1.
What is the InChIKey of 2-[4-[1-[(3-fluorophenyl)methyl]triazol-4-yl]phenoxy]-N-naphthalen-2-ylacetamide?
The InChIKey is SUDISYOYBDTARL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21FN4O2/c28-23-7-3-4-19(14-23)16-32-17-26(30-31-32)21-9-12-25(13-10-21)34-18-27(33)29-24-11-8-20-5-1-2-6-22(20)15-24/h1-15,17H,16,18H2,(H,29,33).
What are the key properties of 2-[4-[1-[(3-fluorophenyl)methyl]triazol-4-yl]phenoxy]-N-naphthalen-2-ylacetamide?
2-[4-[1-[(3-fluorophenyl)methyl]triazol-4-yl]phenoxy]-N-naphthalen-2-ylacetamide has a molecular weight of 452.49 g/mol, XLogP of 5.30, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-[(3-fluorophenyl)methyl]triazol-4-yl]phenoxy]-N-naphthalen-2-ylacetamide is sourced from PubChem (CID 71230463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).