N-[(4-fluorophenyl)methyl]-2-[4-[(4-methoxyphenoxy)methyl]triazol-1-yl]acetamide

C19H19FN4O3 — CID 100830961

IUPACN-[(4-fluorophenyl)methyl]-2-[4-[(4-methoxyphenoxy)methyl]triazol-1-yl]acetamide
SMILESCOc1ccc(OCc2cn(CC(=O)NCc3ccc(F)cc3)nn2)cc1
InChIInChI=1S/C19H19FN4O3/c1-26-17-6-8-18(9-7-17)27-13-16-11-24(23-22-16)12-19(25)21-10-14-2-4-15(20)5-3-14/h2-9,11H,10,12-13H2,1H3,(H,21,25)
InChIKeyAQBAMGXOZAMPOH-UHFFFAOYSA-N
MW370.38 g/mol
LogP2.32
Rot. Bonds8

About N-[(4-fluorophenyl)methyl]-2-[4-[(4-methoxyphenoxy)methyl]triazol-1-yl]acetamide

N-[(4-fluorophenyl)methyl]-2-[4-[(4-methoxyphenoxy)methyl]triazol-1-yl]acetamide (PubChem CID 100830961) has the molecular formula C19H19FN4O3 and a molecular weight of 370.38 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-[4-[(4-methoxyphenoxy)methyl]triazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-[4-[(4-methoxyphenoxy)methyl]triazol-1-yl]acetamide
PubChem CID100830961
Molecular FormulaC19H19FN4O3
Molecular Weight370.38 g/mol
Exact Mass370.14
IUPAC NameN-[(4-fluorophenyl)methyl]-2-[4-[(4-methoxyphenoxy)methyl]triazol-1-yl]acetamide
SMILESCOc1ccc(OCc2cn(CC(=O)NCc3ccc(F)cc3)nn2)cc1
InChIInChI=1S/C19H19FN4O3/c1-26-17-6-8-18(9-7-17)27-13-16-11-24(23-22-16)12-19(25)21-10-14-2-4-15(20)5-3-14/h2-9,11H,10,12-13H2,1H3,(H,21,25)
InChIKeyAQBAMGXOZAMPOH-UHFFFAOYSA-N
XLogP2.32
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-2-[4-[(2-methoxyphenoxy)methyl]triazol-1-yl]acetamide
CID 100830188
2-[4-[(4-methoxyphenoxy)methyl]triazol-1-yl]-N-prop-2-enylacetamide
CID 100830958
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
2-[4-[3-(2-amino-1H-imidazol-5-yl)propyl]triazol-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 52942112
2-(4-acetamidotriazol-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 112522032
2-[4-[(4-fluorophenoxy)methyl]triazol-1-yl]-N-[2-(furan-2-yl)ethyl]acetamide
CID 100830294
N-butan-2-yl-2-[4-[(4-methoxyphenoxy)methyl]triazol-1-yl]acetamide
CID 110210992
2-[4-[(4-fluorophenoxy)methyl]triazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 110210647
2-[4-[(4-fluorophenoxy)methyl]triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 100830214
1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]triazole-4-carboxylic acid
CID 62059422
2-[4-(2-aminopropan-2-yl)triazol-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 63999342

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-[4-[(4-methoxyphenoxy)methyl]triazol-1-yl]acetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-[4-[(4-methoxyphenoxy)methyl]triazol-1-yl]acetamide (CID 100830961) is N-[(4-fluorophenyl)methyl]-2-[4-[(4-methoxyphenoxy)methyl]triazol-1-yl]acetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-[4-[(4-methoxyphenoxy)methyl]triazol-1-yl]acetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-[4-[(4-methoxyphenoxy)methyl]triazol-1-yl]acetamide is COc1ccc(OCc2cn(CC(=O)NCc3ccc(F)cc3)nn2)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-[4-[(4-methoxyphenoxy)methyl]triazol-1-yl]acetamide?
The InChIKey is AQBAMGXOZAMPOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O3/c1-26-17-6-8-18(9-7-17)27-13-16-11-24(23-22-16)12-19(25)21-10-14-2-4-15(20)5-3-14/h2-9,11H,10,12-13H2,1H3,(H,21,25).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-[4-[(4-methoxyphenoxy)methyl]triazol-1-yl]acetamide?
N-[(4-fluorophenyl)methyl]-2-[4-[(4-methoxyphenoxy)methyl]triazol-1-yl]acetamide has a molecular weight of 370.38 g/mol, XLogP of 2.32, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-[4-[(4-methoxyphenoxy)methyl]triazol-1-yl]acetamide is sourced from PubChem (CID 100830961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).