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

C18H23FN4O2 — CID 71848467

IUPACN-[[1-(4-fluorophenyl)cyclopentyl]methyl]-2-[4-(1-hydroxyethyl)triazol-1-yl]acetamide
SMILESCC(O)c1cn(CC(=O)NCC2(c3ccc(F)cc3)CCCC2)nn1
InChIInChI=1S/C18H23FN4O2/c1-13(24)16-10-23(22-21-16)11-17(25)20-12-18(8-2-3-9-18)14-4-6-15(19)7-5-14/h4-7,10,13,24H,2-3,8-9,11-12H2,1H3,(H,20,25)
InChIKeyQJUOYLFXTNXUNV-UHFFFAOYSA-N
MW346.41 g/mol
LogP2.10
Rot. Bonds6

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

N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-2-[4-(1-hydroxyethyl)triazol-1-yl]acetamide (PubChem CID 71848467) has the molecular formula C18H23FN4O2 and a molecular weight of 346.41 g/mol. Its IUPAC name is N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-2-[4-(1-hydroxyethyl)triazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[[1-(4-fluorophenyl)cyclopentyl]methyl]-2-[4-(1-hydroxyethyl)triazol-1-yl]acetamide
PubChem CID71848467
Molecular FormulaC18H23FN4O2
Molecular Weight346.41 g/mol
Exact Mass346.18
IUPAC NameN-[[1-(4-fluorophenyl)cyclopentyl]methyl]-2-[4-(1-hydroxyethyl)triazol-1-yl]acetamide
SMILESCC(O)c1cn(CC(=O)NCC2(c3ccc(F)cc3)CCCC2)nn1
InChIInChI=1S/C18H23FN4O2/c1-13(24)16-10-23(22-21-16)11-17(25)20-12-18(8-2-3-9-18)14-4-6-15(19)7-5-14/h4-7,10,13,24H,2-3,8-9,11-12H2,1H3,(H,20,25)
InChIKeyQJUOYLFXTNXUNV-UHFFFAOYSA-N
XLogP2.10
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(3-fluorophenyl)cyclopentyl]methyl]-2-(4-methyltriazol-1-yl)acetamide
CID 46972124
N-[[1-(4-fluorophenyl)cyclohexyl]methyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 51092079
N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 55745995
4-amino-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]pentanamide;hydrochloride
CID 120561267
N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-3-propan-2-yloxypropanamide
CID 86994816
2-[4-(1-hydroxyethyl)triazol-1-yl]-N-(3-methylbutyl)acetamide
CID 80744115
N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-2-methyl-3-pyrazol-1-ylpropanamide
CID 131944233
4-amino-N-[[1-(4-fluorophenyl)cyclobutyl]methyl]pentanamide;hydrochloride
CID 120561735
3-amino-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]butanamide
CID 119731231
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]acetamide
CID 60513656
1-[[1-(4-fluorophenyl)cyclopentyl]methyl]-3-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 94119990
1-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-(3-hydroxybutyl)urea
CID 111337214

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-2-[4-(1-hydroxyethyl)triazol-1-yl]acetamide?
The IUPAC name of N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-2-[4-(1-hydroxyethyl)triazol-1-yl]acetamide (CID 71848467) is N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-2-[4-(1-hydroxyethyl)triazol-1-yl]acetamide.
What is the SMILES notation for N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-2-[4-(1-hydroxyethyl)triazol-1-yl]acetamide?
The canonical SMILES for N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-2-[4-(1-hydroxyethyl)triazol-1-yl]acetamide is CC(O)c1cn(CC(=O)NCC2(c3ccc(F)cc3)CCCC2)nn1.
What is the InChIKey of N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-2-[4-(1-hydroxyethyl)triazol-1-yl]acetamide?
The InChIKey is QJUOYLFXTNXUNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O2/c1-13(24)16-10-23(22-21-16)11-17(25)20-12-18(8-2-3-9-18)14-4-6-15(19)7-5-14/h4-7,10,13,24H,2-3,8-9,11-12H2,1H3,(H,20,25).
What are the key properties of N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-2-[4-(1-hydroxyethyl)triazol-1-yl]acetamide?
N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-2-[4-(1-hydroxyethyl)triazol-1-yl]acetamide has a molecular weight of 346.41 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-2-[4-(1-hydroxyethyl)triazol-1-yl]acetamide is sourced from PubChem (CID 71848467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).