3-[[2-[4-[(2-fluorophenoxy)methyl]triazol-1-yl]acetyl]amino]-N-propan-2-ylpropanamide

C17H22FN5O3 — CID 100830471

IUPAC3-[[2-[4-[(2-fluorophenoxy)methyl]triazol-1-yl]acetyl]amino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCNC(=O)Cn1cc(COc2ccccc2F)nn1
InChIInChI=1S/C17H22FN5O3/c1-12(2)20-16(24)7-8-19-17(25)10-23-9-13(21-22-23)11-26-15-6-4-3-5-14(15)18/h3-6,9,12H,7-8,10-11H2,1-2H3,(H,19,25)(H,20,24)
InChIKeySJOLDYCYDNSCDO-UHFFFAOYSA-N
MW363.39 g/mol
LogP1.03
Rot. Bonds9

About 3-[[2-[4-[(2-fluorophenoxy)methyl]triazol-1-yl]acetyl]amino]-N-propan-2-ylpropanamide

3-[[2-[4-[(2-fluorophenoxy)methyl]triazol-1-yl]acetyl]amino]-N-propan-2-ylpropanamide (PubChem CID 100830471) has the molecular formula C17H22FN5O3 and a molecular weight of 363.39 g/mol. Its IUPAC name is 3-[[2-[4-[(2-fluorophenoxy)methyl]triazol-1-yl]acetyl]amino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-[[2-[4-[(2-fluorophenoxy)methyl]triazol-1-yl]acetyl]amino]-N-propan-2-ylpropanamide
PubChem CID100830471
Molecular FormulaC17H22FN5O3
Molecular Weight363.39 g/mol
Exact Mass363.17
IUPAC Name3-[[2-[4-[(2-fluorophenoxy)methyl]triazol-1-yl]acetyl]amino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCNC(=O)Cn1cc(COc2ccccc2F)nn1
InChIInChI=1S/C17H22FN5O3/c1-12(2)20-16(24)7-8-19-17(25)10-23-9-13(21-22-23)11-26-15-6-4-3-5-14(15)18/h3-6,9,12H,7-8,10-11H2,1-2H3,(H,19,25)(H,20,24)
InChIKeySJOLDYCYDNSCDO-UHFFFAOYSA-N
XLogP1.03
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.39
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-butyl-2-[4-[(2-fluorophenoxy)methyl]triazol-1-yl]acetamide
CID 100830994
2-[4-[(2-fluorophenoxy)methyl]triazol-1-yl]-N-(2-methylpropyl)acetamide
CID 100830965
2-[4-[(2-fluorophenoxy)methyl]triazol-1-yl]-N-(5-methyl-2-pyridinyl)acetamide
CID 100830989
ethyl 2-[4-[(2-fluorophenoxy)methyl]triazol-1-yl]acetate
CID 166241840
N-[(2S)-butan-2-yl]-2-[4-[(2-methoxyphenoxy)methyl]triazol-1-yl]acetamide
CID 100830183
3-[[2-[4-[(4-fluorophenoxy)methyl]triazol-1-yl]acetyl]amino]-N,N-dimethylpropanamide
CID 100830310
2-[[2-[4-[(2-methoxyphenoxy)methyl]triazol-1-yl]acetyl]amino]acetamide
CID 100830162
N-benzyl-2-[4-[(2-methoxyphenoxy)methyl]triazol-1-yl]acetamide
CID 100830188
2-[4-[(3-fluorophenoxy)methyl]triazol-1-yl]-N-[3-(2-fluorophenyl)propyl]acetamide
CID 119055203
2-[4-(aminomethyl)triazol-1-yl]-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 115458883
2-[4-[(3-fluorophenoxy)methyl]triazol-1-yl]-N-(2-phenylethyl)acetamide
CID 100831239
2-[4-[(4-fluorophenoxy)methyl]triazol-1-yl]-N-[2-(furan-2-yl)ethyl]acetamide
CID 100830294

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[4-[(2-fluorophenoxy)methyl]triazol-1-yl]acetyl]amino]-N-propan-2-ylpropanamide?
The IUPAC name of 3-[[2-[4-[(2-fluorophenoxy)methyl]triazol-1-yl]acetyl]amino]-N-propan-2-ylpropanamide (CID 100830471) is 3-[[2-[4-[(2-fluorophenoxy)methyl]triazol-1-yl]acetyl]amino]-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-[[2-[4-[(2-fluorophenoxy)methyl]triazol-1-yl]acetyl]amino]-N-propan-2-ylpropanamide?
The canonical SMILES for 3-[[2-[4-[(2-fluorophenoxy)methyl]triazol-1-yl]acetyl]amino]-N-propan-2-ylpropanamide is CC(C)NC(=O)CCNC(=O)Cn1cc(COc2ccccc2F)nn1.
What is the InChIKey of 3-[[2-[4-[(2-fluorophenoxy)methyl]triazol-1-yl]acetyl]amino]-N-propan-2-ylpropanamide?
The InChIKey is SJOLDYCYDNSCDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN5O3/c1-12(2)20-16(24)7-8-19-17(25)10-23-9-13(21-22-23)11-26-15-6-4-3-5-14(15)18/h3-6,9,12H,7-8,10-11H2,1-2H3,(H,19,25)(H,20,24).
What are the key properties of 3-[[2-[4-[(2-fluorophenoxy)methyl]triazol-1-yl]acetyl]amino]-N-propan-2-ylpropanamide?
3-[[2-[4-[(2-fluorophenoxy)methyl]triazol-1-yl]acetyl]amino]-N-propan-2-ylpropanamide has a molecular weight of 363.39 g/mol, XLogP of 1.03, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[4-[(2-fluorophenoxy)methyl]triazol-1-yl]acetyl]amino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 100830471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).