2-[4-[5-[1-(4-fluorophenyl)cyclopropyl]-4-propan-2-yl-1,2,4-triazol-3-yl]phenoxy]acetamide

C22H23FN4O2 — CID 59216065

IUPAC2-[4-[5-[1-(4-fluorophenyl)cyclopropyl]-4-propan-2-yl-1,2,4-triazol-3-yl]phenoxy]acetamide
SMILESCC(C)n1c(-c2ccc(OCC(N)=O)cc2)nnc1C1(c2ccc(F)cc2)CC1
InChIInChI=1S/C22H23FN4O2/c1-14(2)27-20(15-3-9-18(10-4-15)29-13-19(24)28)25-26-21(27)22(11-12-22)16-5-7-17(23)8-6-16/h3-10,14H,11-13H2,1-2H3,(H2,24,28)
InChIKeyNCDLCNKZMAGIKX-UHFFFAOYSA-N
MW394.45 g/mol
LogP3.61
Rot. Bonds7

About 2-[4-[5-[1-(4-fluorophenyl)cyclopropyl]-4-propan-2-yl-1,2,4-triazol-3-yl]phenoxy]acetamide

2-[4-[5-[1-(4-fluorophenyl)cyclopropyl]-4-propan-2-yl-1,2,4-triazol-3-yl]phenoxy]acetamide (PubChem CID 59216065) has the molecular formula C22H23FN4O2 and a molecular weight of 394.45 g/mol. Its IUPAC name is 2-[4-[5-[1-(4-fluorophenyl)cyclopropyl]-4-propan-2-yl-1,2,4-triazol-3-yl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[4-[5-[1-(4-fluorophenyl)cyclopropyl]-4-propan-2-yl-1,2,4-triazol-3-yl]phenoxy]acetamide
PubChem CID59216065
Molecular FormulaC22H23FN4O2
Molecular Weight394.45 g/mol
Exact Mass394.18
IUPAC Name2-[4-[5-[1-(4-fluorophenyl)cyclopropyl]-4-propan-2-yl-1,2,4-triazol-3-yl]phenoxy]acetamide
SMILESCC(C)n1c(-c2ccc(OCC(N)=O)cc2)nnc1C1(c2ccc(F)cc2)CC1
InChIInChI=1S/C22H23FN4O2/c1-14(2)27-20(15-3-9-18(10-4-15)29-13-19(24)28)25-26-21(27)22(11-12-22)16-5-7-17(23)8-6-16/h3-10,14H,11-13H2,1-2H3,(H2,24,28)
InChIKeyNCDLCNKZMAGIKX-UHFFFAOYSA-N
XLogP3.61
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-[5-[1-(4-fluorophenyl)cyclopropyl]-4-propan-2-yl-1,2,4-triazol-3-yl]phenoxy]acetamide with MolForge

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Related Compounds

3-(3,5-dichlorophenyl)-5-[1-(4-fluorophenyl)cyclopropyl]-4-propan-2-yl-1,2,4-triazole
CID 59216250
N-[4-(2-amino-2-oxoethoxy)phenyl]-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 55567225
2-[3-chloro-4-[5-[1-(4-fluorophenyl)cyclopropyl]-4-methyl-1,2,4-triazol-3-yl]phenoxy]ethanol
CID 59216099
6-(4-fluorophenyl)-3-[1-(4-methoxyphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazine
CID 24830775
[(2S)-1-[2-[2-(4-fluorophenoxy)acetyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]urea
CID 9379100
2-[4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 19328748
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 2632446
2-[4-(propan-2-ylamino)phenoxy]acetamide
CID 43711183
(2S)-2-[[2-(4-fluorophenoxy)acetyl]amino]propanoic acid
CID 92918438
(E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-[1-(4-fluorophenyl)ethyl]prop-2-enamide
CID 134030570
(2S)-N'-[2-(4-fluorophenoxy)acetyl]-2-(4-methylphenyl)sulfanylpropanehydrazide
CID 9428457
2-[(4S)-4-[4-(2-amino-2-oxoethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 2534969

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-[1-(4-fluorophenyl)cyclopropyl]-4-propan-2-yl-1,2,4-triazol-3-yl]phenoxy]acetamide?
The IUPAC name of 2-[4-[5-[1-(4-fluorophenyl)cyclopropyl]-4-propan-2-yl-1,2,4-triazol-3-yl]phenoxy]acetamide (CID 59216065) is 2-[4-[5-[1-(4-fluorophenyl)cyclopropyl]-4-propan-2-yl-1,2,4-triazol-3-yl]phenoxy]acetamide.
What is the SMILES notation for 2-[4-[5-[1-(4-fluorophenyl)cyclopropyl]-4-propan-2-yl-1,2,4-triazol-3-yl]phenoxy]acetamide?
The canonical SMILES for 2-[4-[5-[1-(4-fluorophenyl)cyclopropyl]-4-propan-2-yl-1,2,4-triazol-3-yl]phenoxy]acetamide is CC(C)n1c(-c2ccc(OCC(N)=O)cc2)nnc1C1(c2ccc(F)cc2)CC1.
What is the InChIKey of 2-[4-[5-[1-(4-fluorophenyl)cyclopropyl]-4-propan-2-yl-1,2,4-triazol-3-yl]phenoxy]acetamide?
The InChIKey is NCDLCNKZMAGIKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O2/c1-14(2)27-20(15-3-9-18(10-4-15)29-13-19(24)28)25-26-21(27)22(11-12-22)16-5-7-17(23)8-6-16/h3-10,14H,11-13H2,1-2H3,(H2,24,28).
What are the key properties of 2-[4-[5-[1-(4-fluorophenyl)cyclopropyl]-4-propan-2-yl-1,2,4-triazol-3-yl]phenoxy]acetamide?
2-[4-[5-[1-(4-fluorophenyl)cyclopropyl]-4-propan-2-yl-1,2,4-triazol-3-yl]phenoxy]acetamide has a molecular weight of 394.45 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-[1-(4-fluorophenyl)cyclopropyl]-4-propan-2-yl-1,2,4-triazol-3-yl]phenoxy]acetamide is sourced from PubChem (CID 59216065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).