N-[[1-(3-fluorophenyl)cyclopentyl]methyl]-2-(4-methyltriazol-1-yl)acetamide

C17H21FN4O — CID 46972124

IUPACN-[[1-(3-fluorophenyl)cyclopentyl]methyl]-2-(4-methyltriazol-1-yl)acetamide
SMILESCc1cn(CC(=O)NCC2(c3cccc(F)c3)CCCC2)nn1
InChIInChI=1S/C17H21FN4O/c1-13-10-22(21-20-13)11-16(23)19-12-17(7-2-3-8-17)14-5-4-6-15(18)9-14/h4-6,9-10H,2-3,7-8,11-12H2,1H3,(H,19,23)
InChIKeyFACIYASQKDBVBV-UHFFFAOYSA-N
MW316.38 g/mol
LogP2.35
Rot. Bonds5

About N-[[1-(3-fluorophenyl)cyclopentyl]methyl]-2-(4-methyltriazol-1-yl)acetamide

N-[[1-(3-fluorophenyl)cyclopentyl]methyl]-2-(4-methyltriazol-1-yl)acetamide (PubChem CID 46972124) has the molecular formula C17H21FN4O and a molecular weight of 316.38 g/mol. Its IUPAC name is N-[[1-(3-fluorophenyl)cyclopentyl]methyl]-2-(4-methyltriazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[[1-(3-fluorophenyl)cyclopentyl]methyl]-2-(4-methyltriazol-1-yl)acetamide
PubChem CID46972124
Molecular FormulaC17H21FN4O
Molecular Weight316.38 g/mol
Exact Mass316.17
IUPAC NameN-[[1-(3-fluorophenyl)cyclopentyl]methyl]-2-(4-methyltriazol-1-yl)acetamide
SMILESCc1cn(CC(=O)NCC2(c3cccc(F)c3)CCCC2)nn1
InChIInChI=1S/C17H21FN4O/c1-13-10-22(21-20-13)11-16(23)19-12-17(7-2-3-8-17)14-5-4-6-15(18)9-14/h4-6,9-10H,2-3,7-8,11-12H2,1H3,(H,19,23)
InChIKeyFACIYASQKDBVBV-UHFFFAOYSA-N
XLogP2.35
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-2-[4-(1-hydroxyethyl)triazol-1-yl]acetamide
CID 71848467
N-[[1-(3-fluorophenyl)cyclohexyl]methyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 47921613
N-[[1-(3-fluorophenyl)cyclopentyl]methyl]-2-pyridin-4-ylsulfanylacetamide
CID 91797143
N-[[1-(3-fluorophenyl)cyclopropyl]methyl]pentanamide
CID 110479509
N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-3-(4-methylpyrazol-1-yl)propanamide
CID 118776703
2-[3-(4-chlorophenyl)-4-cyclopropyl-5-oxo-1,2,4-triazol-1-yl]-N-[[1-(3-fluorophenyl)cyclopentyl]methyl]acetamide
CID 58012088
N-[[1-(3-fluorophenyl)cyclohexyl]methyl]-1,2-oxazole-3-carboxamide
CID 132968647
N-[[1-(3-fluorophenyl)cyclopentyl]methyl]-3-(2-oxopiperidin-1-yl)propanamide
CID 91842555
3-(1H-benzimidazol-2-yl)-N-[[1-(3-fluorophenyl)cyclopentyl]methyl]propanamide
CID 118760643
1-amino-N-[[1-(3-fluorophenyl)cyclopropyl]methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119332781
N-[[1-(3-fluorophenyl)cyclopropyl]methyl]-3-hydroxy-3-phenylbutanamide
CID 110025489
N-[[1-(3-fluorophenyl)cyclopropyl]methyl]pyridine-4-carboxamide
CID 110482056

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-fluorophenyl)cyclopentyl]methyl]-2-(4-methyltriazol-1-yl)acetamide?
The IUPAC name of N-[[1-(3-fluorophenyl)cyclopentyl]methyl]-2-(4-methyltriazol-1-yl)acetamide (CID 46972124) is N-[[1-(3-fluorophenyl)cyclopentyl]methyl]-2-(4-methyltriazol-1-yl)acetamide.
What is the SMILES notation for N-[[1-(3-fluorophenyl)cyclopentyl]methyl]-2-(4-methyltriazol-1-yl)acetamide?
The canonical SMILES for N-[[1-(3-fluorophenyl)cyclopentyl]methyl]-2-(4-methyltriazol-1-yl)acetamide is Cc1cn(CC(=O)NCC2(c3cccc(F)c3)CCCC2)nn1.
What is the InChIKey of N-[[1-(3-fluorophenyl)cyclopentyl]methyl]-2-(4-methyltriazol-1-yl)acetamide?
The InChIKey is FACIYASQKDBVBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O/c1-13-10-22(21-20-13)11-16(23)19-12-17(7-2-3-8-17)14-5-4-6-15(18)9-14/h4-6,9-10H,2-3,7-8,11-12H2,1H3,(H,19,23).
What are the key properties of N-[[1-(3-fluorophenyl)cyclopentyl]methyl]-2-(4-methyltriazol-1-yl)acetamide?
N-[[1-(3-fluorophenyl)cyclopentyl]methyl]-2-(4-methyltriazol-1-yl)acetamide has a molecular weight of 316.38 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-fluorophenyl)cyclopentyl]methyl]-2-(4-methyltriazol-1-yl)acetamide is sourced from PubChem (CID 46972124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).