2-[ethyl(2H-tetrazol-5-ylmethyl)amino]-N-[(2-fluorophenyl)methyl]acetamide

C13H17FN6O — CID 167898743

IUPAC2-[ethyl(2H-tetrazol-5-ylmethyl)amino]-N-[(2-fluorophenyl)methyl]acetamide
SMILESCCN(CC(=O)NCc1ccccc1F)Cc1nn[nH]n1
InChIInChI=1S/C13H17FN6O/c1-2-20(8-12-16-18-19-17-12)9-13(21)15-7-10-5-3-4-6-11(10)14/h3-6H,2,7-9H2,1H3,(H,15,21)(H,16,17,18,19)
InChIKeyLFOYIRMHHINZGX-UHFFFAOYSA-N
MW292.32 g/mol
LogP0.48
Rot. Bonds7

About 2-[ethyl(2H-tetrazol-5-ylmethyl)amino]-N-[(2-fluorophenyl)methyl]acetamide

2-[ethyl(2H-tetrazol-5-ylmethyl)amino]-N-[(2-fluorophenyl)methyl]acetamide (PubChem CID 167898743) has the molecular formula C13H17FN6O and a molecular weight of 292.32 g/mol. Its IUPAC name is 2-[ethyl(2H-tetrazol-5-ylmethyl)amino]-N-[(2-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[ethyl(2H-tetrazol-5-ylmethyl)amino]-N-[(2-fluorophenyl)methyl]acetamide
PubChem CID167898743
Molecular FormulaC13H17FN6O
Molecular Weight292.32 g/mol
Exact Mass292.14
IUPAC Name2-[ethyl(2H-tetrazol-5-ylmethyl)amino]-N-[(2-fluorophenyl)methyl]acetamide
SMILESCCN(CC(=O)NCc1ccccc1F)Cc1nn[nH]n1
InChIInChI=1S/C13H17FN6O/c1-2-20(8-12-16-18-19-17-12)9-13(21)15-7-10-5-3-4-6-11(10)14/h3-6H,2,7-9H2,1H3,(H,15,21)(H,16,17,18,19)
InChIKeyLFOYIRMHHINZGX-UHFFFAOYSA-N
XLogP0.48
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[ethyl(pyrrolidin-2-ylmethyl)amino]-N-[(2-fluorophenyl)methyl]acetamide
CID 106615025
methyl 2-[[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-propylamino]acetate
CID 61036324
2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-[(2-fluorophenyl)methyl]acetamide
CID 8695272
2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]-N-[(2-fluorophenyl)methyl]acetamide
CID 110335622
N-ethyl-2-[ethyl-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]amino]acetamide
CID 40700700
N-[3-(diethylamino)propyl]-N'-[(2-fluorophenyl)methyl]oxamide
CID 108524698
2-[(E)-[amino(dimethylamino)methylidene]amino]oxy-N-[(2-fluorophenyl)methyl]acetamide
CID 71848615
N-[(2-fluorophenyl)methyl]hexanamide
CID 17068300
2-[[4-amino-5-[2-(diethylamino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(2-fluorophenyl)methyl]acetamide
CID 18292978
2-[acetyl(prop-2-enyl)amino]-N-[(2-fluorophenyl)methyl]acetamide
CID 113158508
2-[tert-butyl(methylsulfonyl)amino]-N-[(2-fluorophenyl)methyl]acetamide
CID 113152857
2-(2-fluoro-N-methylsulfonylanilino)-N-[(2-fluorophenyl)methyl]acetamide
CID 113154680

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(2H-tetrazol-5-ylmethyl)amino]-N-[(2-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-[ethyl(2H-tetrazol-5-ylmethyl)amino]-N-[(2-fluorophenyl)methyl]acetamide (CID 167898743) is 2-[ethyl(2H-tetrazol-5-ylmethyl)amino]-N-[(2-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[ethyl(2H-tetrazol-5-ylmethyl)amino]-N-[(2-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-[ethyl(2H-tetrazol-5-ylmethyl)amino]-N-[(2-fluorophenyl)methyl]acetamide is CCN(CC(=O)NCc1ccccc1F)Cc1nn[nH]n1.
What is the InChIKey of 2-[ethyl(2H-tetrazol-5-ylmethyl)amino]-N-[(2-fluorophenyl)methyl]acetamide?
The InChIKey is LFOYIRMHHINZGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN6O/c1-2-20(8-12-16-18-19-17-12)9-13(21)15-7-10-5-3-4-6-11(10)14/h3-6H,2,7-9H2,1H3,(H,15,21)(H,16,17,18,19).
What are the key properties of 2-[ethyl(2H-tetrazol-5-ylmethyl)amino]-N-[(2-fluorophenyl)methyl]acetamide?
2-[ethyl(2H-tetrazol-5-ylmethyl)amino]-N-[(2-fluorophenyl)methyl]acetamide has a molecular weight of 292.32 g/mol, XLogP of 0.48, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(2H-tetrazol-5-ylmethyl)amino]-N-[(2-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 167898743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).