N-[2-(2-fluorophenyl)ethyl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide

C16H23FN6O — CID 28853428

IUPACN-[2-(2-fluorophenyl)ethyl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide
SMILESCC(C)N(C)Cc1nnnn1CC(=O)NCCc1ccccc1F
InChIInChI=1S/C16H23FN6O/c1-12(2)22(3)10-15-19-20-21-23(15)11-16(24)18-9-8-13-6-4-5-7-14(13)17/h4-7,12H,8-11H2,1-3H3,(H,18,24)
InChIKeyCRWFCGNZQJXLOL-UHFFFAOYSA-N
MW334.40 g/mol
LogP1.01
Rot. Bonds8

About N-[2-(2-fluorophenyl)ethyl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide

N-[2-(2-fluorophenyl)ethyl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide (PubChem CID 28853428) has the molecular formula C16H23FN6O and a molecular weight of 334.40 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide
PubChem CID28853428
Molecular FormulaC16H23FN6O
Molecular Weight334.40 g/mol
Exact Mass334.19
IUPAC NameN-[2-(2-fluorophenyl)ethyl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide
SMILESCC(C)N(C)Cc1nnnn1CC(=O)NCCc1ccccc1F
InChIInChI=1S/C16H23FN6O/c1-12(2)22(3)10-15-19-20-21-23(15)11-16(24)18-9-8-13-6-4-5-7-14(13)17/h4-7,12H,8-11H2,1-3H3,(H,18,24)
InChIKeyCRWFCGNZQJXLOL-UHFFFAOYSA-N
XLogP1.01
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide (CID 28853428) is N-[2-(2-fluorophenyl)ethyl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide is CC(C)N(C)Cc1nnnn1CC(=O)NCCc1ccccc1F.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide?
The InChIKey is CRWFCGNZQJXLOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN6O/c1-12(2)22(3)10-15-19-20-21-23(15)11-16(24)18-9-8-13-6-4-5-7-14(13)17/h4-7,12H,8-11H2,1-3H3,(H,18,24).
What are the key properties of N-[2-(2-fluorophenyl)ethyl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide?
N-[2-(2-fluorophenyl)ethyl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide has a molecular weight of 334.40 g/mol, XLogP of 1.01, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)ethyl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide is sourced from PubChem (CID 28853428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).