N-[1-[2-[(4-fluorophenyl)methyl]-5-(furan-2-yl)-1,2,4-triazol-3-yl]butyl]acetamide

C19H21FN4O2 — CID 72887700

IUPACN-[1-[2-[(4-fluorophenyl)methyl]-5-(furan-2-yl)-1,2,4-triazol-3-yl]butyl]acetamide
SMILESCCCC(NC(C)=O)c1nc(-c2ccco2)nn1Cc1ccc(F)cc1
InChIInChI=1S/C19H21FN4O2/c1-3-5-16(21-13(2)25)19-22-18(17-6-4-11-26-17)23-24(19)12-14-7-9-15(20)10-8-14/h4,6-11,16H,3,5,12H2,1-2H3,(H,21,25)
InChIKeyDOUFNHFZKZVMKW-UHFFFAOYSA-N
MW356.40 g/mol
LogP3.70
Rot. Bonds7

About N-[1-[2-[(4-fluorophenyl)methyl]-5-(furan-2-yl)-1,2,4-triazol-3-yl]butyl]acetamide

N-[1-[2-[(4-fluorophenyl)methyl]-5-(furan-2-yl)-1,2,4-triazol-3-yl]butyl]acetamide (PubChem CID 72887700) has the molecular formula C19H21FN4O2 and a molecular weight of 356.40 g/mol. Its IUPAC name is N-[1-[2-[(4-fluorophenyl)methyl]-5-(furan-2-yl)-1,2,4-triazol-3-yl]butyl]acetamide.

Molecular Properties

Compound NameN-[1-[2-[(4-fluorophenyl)methyl]-5-(furan-2-yl)-1,2,4-triazol-3-yl]butyl]acetamide
PubChem CID72887700
Molecular FormulaC19H21FN4O2
Molecular Weight356.40 g/mol
Exact Mass356.16
IUPAC NameN-[1-[2-[(4-fluorophenyl)methyl]-5-(furan-2-yl)-1,2,4-triazol-3-yl]butyl]acetamide
SMILESCCCC(NC(C)=O)c1nc(-c2ccco2)nn1Cc1ccc(F)cc1
InChIInChI=1S/C19H21FN4O2/c1-3-5-16(21-13(2)25)19-22-18(17-6-4-11-26-17)23-24(19)12-14-7-9-15(20)10-8-14/h4,6-11,16H,3,5,12H2,1-2H3,(H,21,25)
InChIKeyDOUFNHFZKZVMKW-UHFFFAOYSA-N
XLogP3.70
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1S)-1-[2-benzyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]-3-methylsulfanylpropan-1-amine
CID 131937735
(4-fluorophenyl)-[3-(furan-2-yl)-5-[(4-methylphenyl)methylamino]-1,2,4-triazol-1-yl]methanone
CID 23612669
2-[5-(furan-2-yl)tetrazol-2-yl]pentanehydrazide
CID 83048207
[4-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]butyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 3209780
(3-chlorophenyl)-[5-[(4-fluorophenyl)methylamino]-3-(furan-2-yl)-1,2,4-triazol-1-yl]methanone
CID 23612702
5-amino-1-[(4-fluorophenyl)methyl]-3-(furan-2-yl)pyrazole-4-carbaldehyde
CID 82360762
N-[2-(4-fluorophenyl)ethyl]-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide
CID 121049819
N-[(4-fluorophenyl)methyl]-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylacetamide
CID 46679609
2-(3,4-dimethoxyphenyl)-1-[5-[(4-fluorophenyl)methylamino]-3-(furan-2-yl)-1,2,4-triazol-1-yl]ethanone
CID 46263824
1-[3-(furan-2-yl)-5-[(4-methylphenyl)methylamino]-1,2,4-triazol-1-yl]-2-methylpropan-1-one
CID 23612661
1-[3-(furan-2-yl)-5-[(4-propan-2-ylphenyl)methylamino]-1,2,4-triazol-1-yl]-2-methylpropan-1-one
CID 23612773
N-[(4-fluorophenyl)methyl]-2-[[2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]acetamide
CID 71907012

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[(4-fluorophenyl)methyl]-5-(furan-2-yl)-1,2,4-triazol-3-yl]butyl]acetamide?
The IUPAC name of N-[1-[2-[(4-fluorophenyl)methyl]-5-(furan-2-yl)-1,2,4-triazol-3-yl]butyl]acetamide (CID 72887700) is N-[1-[2-[(4-fluorophenyl)methyl]-5-(furan-2-yl)-1,2,4-triazol-3-yl]butyl]acetamide.
What is the SMILES notation for N-[1-[2-[(4-fluorophenyl)methyl]-5-(furan-2-yl)-1,2,4-triazol-3-yl]butyl]acetamide?
The canonical SMILES for N-[1-[2-[(4-fluorophenyl)methyl]-5-(furan-2-yl)-1,2,4-triazol-3-yl]butyl]acetamide is CCCC(NC(C)=O)c1nc(-c2ccco2)nn1Cc1ccc(F)cc1.
What is the InChIKey of N-[1-[2-[(4-fluorophenyl)methyl]-5-(furan-2-yl)-1,2,4-triazol-3-yl]butyl]acetamide?
The InChIKey is DOUFNHFZKZVMKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O2/c1-3-5-16(21-13(2)25)19-22-18(17-6-4-11-26-17)23-24(19)12-14-7-9-15(20)10-8-14/h4,6-11,16H,3,5,12H2,1-2H3,(H,21,25).
What are the key properties of N-[1-[2-[(4-fluorophenyl)methyl]-5-(furan-2-yl)-1,2,4-triazol-3-yl]butyl]acetamide?
N-[1-[2-[(4-fluorophenyl)methyl]-5-(furan-2-yl)-1,2,4-triazol-3-yl]butyl]acetamide has a molecular weight of 356.40 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[(4-fluorophenyl)methyl]-5-(furan-2-yl)-1,2,4-triazol-3-yl]butyl]acetamide is sourced from PubChem (CID 72887700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).