2-[4-[(3-fluorophenoxy)methyl]triazol-1-yl]-N-[3-(2-fluorophenyl)propyl]acetamide

C20H20F2N4O2 — CID 119055203

IUPAC2-[4-[(3-fluorophenoxy)methyl]triazol-1-yl]-N-[3-(2-fluorophenyl)propyl]acetamide
SMILESO=C(Cn1cc(COc2cccc(F)c2)nn1)NCCCc1ccccc1F
InChIInChI=1S/C20H20F2N4O2/c21-16-7-3-8-18(11-16)28-14-17-12-26(25-24-17)13-20(27)23-10-4-6-15-5-1-2-9-19(15)22/h1-3,5,7-9,11-12H,4,6,10,13-14H2,(H,23,27)
InChIKeyUCWHSMZRIVETRS-UHFFFAOYSA-N
MW386.40 g/mol
LogP2.88
Rot. Bonds9

About 2-[4-[(3-fluorophenoxy)methyl]triazol-1-yl]-N-[3-(2-fluorophenyl)propyl]acetamide

2-[4-[(3-fluorophenoxy)methyl]triazol-1-yl]-N-[3-(2-fluorophenyl)propyl]acetamide (PubChem CID 119055203) has the molecular formula C20H20F2N4O2 and a molecular weight of 386.40 g/mol. Its IUPAC name is 2-[4-[(3-fluorophenoxy)methyl]triazol-1-yl]-N-[3-(2-fluorophenyl)propyl]acetamide.

Molecular Properties

Compound Name2-[4-[(3-fluorophenoxy)methyl]triazol-1-yl]-N-[3-(2-fluorophenyl)propyl]acetamide
PubChem CID119055203
Molecular FormulaC20H20F2N4O2
Molecular Weight386.40 g/mol
Exact Mass386.16
IUPAC Name2-[4-[(3-fluorophenoxy)methyl]triazol-1-yl]-N-[3-(2-fluorophenyl)propyl]acetamide
SMILESO=C(Cn1cc(COc2cccc(F)c2)nn1)NCCCc1ccccc1F
InChIInChI=1S/C20H20F2N4O2/c21-16-7-3-8-18(11-16)28-14-17-12-26(25-24-17)13-20(27)23-10-4-6-15-5-1-2-9-19(15)22/h1-3,5,7-9,11-12H,4,6,10,13-14H2,(H,23,27)
InChIKeyUCWHSMZRIVETRS-UHFFFAOYSA-N
XLogP2.88
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[(3-fluorophenoxy)methyl]triazol-1-yl]-N-(2-phenylethyl)acetamide
CID 100831239
2-[4-(aminomethyl)triazol-1-yl]-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 115458883
2-[4-[(3-fluorophenoxy)methyl]triazol-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 100831232
2-[4-[(4-fluorophenoxy)methyl]triazol-1-yl]-N-[2-(furan-2-yl)ethyl]acetamide
CID 100830294
3-[[2-[4-[(4-fluorophenoxy)methyl]triazol-1-yl]acetyl]amino]-N,N-dimethylpropanamide
CID 100830310
2-[4-[(3-methylphenoxy)methyl]triazol-1-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 100830161
3-[[2-[4-[(2-fluorophenoxy)methyl]triazol-1-yl]acetyl]amino]-N-propan-2-ylpropanamide
CID 100830471
2-(4-acetamidotriazol-1-yl)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 112529383
2-[4-[(2-fluorophenoxy)methyl]triazol-1-yl]-N-(2-methylpropyl)acetamide
CID 100830965
N-[(4-fluorophenyl)methyl]-2-[4-[(4-methoxyphenoxy)methyl]triazol-1-yl]acetamide
CID 100830961
N-[2-(2-fluorophenyl)ethyl]-2-[4-(methanesulfonamido)triazol-1-yl]acetamide
CID 112529386
N-(4-chlorophenyl)-2-[4-(naphthalen-2-yloxymethyl)triazol-1-yl]acetamide
CID 162675638

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-fluorophenoxy)methyl]triazol-1-yl]-N-[3-(2-fluorophenyl)propyl]acetamide?
The IUPAC name of 2-[4-[(3-fluorophenoxy)methyl]triazol-1-yl]-N-[3-(2-fluorophenyl)propyl]acetamide (CID 119055203) is 2-[4-[(3-fluorophenoxy)methyl]triazol-1-yl]-N-[3-(2-fluorophenyl)propyl]acetamide.
What is the SMILES notation for 2-[4-[(3-fluorophenoxy)methyl]triazol-1-yl]-N-[3-(2-fluorophenyl)propyl]acetamide?
The canonical SMILES for 2-[4-[(3-fluorophenoxy)methyl]triazol-1-yl]-N-[3-(2-fluorophenyl)propyl]acetamide is O=C(Cn1cc(COc2cccc(F)c2)nn1)NCCCc1ccccc1F.
What is the InChIKey of 2-[4-[(3-fluorophenoxy)methyl]triazol-1-yl]-N-[3-(2-fluorophenyl)propyl]acetamide?
The InChIKey is UCWHSMZRIVETRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N4O2/c21-16-7-3-8-18(11-16)28-14-17-12-26(25-24-17)13-20(27)23-10-4-6-15-5-1-2-9-19(15)22/h1-3,5,7-9,11-12H,4,6,10,13-14H2,(H,23,27).
What are the key properties of 2-[4-[(3-fluorophenoxy)methyl]triazol-1-yl]-N-[3-(2-fluorophenyl)propyl]acetamide?
2-[4-[(3-fluorophenoxy)methyl]triazol-1-yl]-N-[3-(2-fluorophenyl)propyl]acetamide has a molecular weight of 386.40 g/mol, XLogP of 2.88, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-fluorophenoxy)methyl]triazol-1-yl]-N-[3-(2-fluorophenyl)propyl]acetamide is sourced from PubChem (CID 119055203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).