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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Related Compounds

(R)-2-amino-N-(1-(1-(2-cyanoethyl)-1H-tetrazol-5-yl)-4,4-difluoro-4-phenylbutyl)-2-methylpropanamide
CID 44560945
N-(4-fluorobenzyl)-2-(5-{[isopropyl(methyl)amino]methyl}-1H-tetrazol-1-yl)-N-methylacetamide
CID 23723423
2-amino-N-{(R)-1-[1-(2-butylcarbamoyl-ethyl)-1H-tetrazol-5-yl]-3-phenyl-propyl}-2-methyl-propionamide
CID 44434016
CID 16192910
CID 16192910
2-(5-{[isopropyl(methyl)amino]methyl}-1H-tetrazol-1-yl)-N-{2-[3-(trifluoromethyl)phenyl]ethyl}acetamide
CID 23723578
N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-(tetrazol-1-yl)acetamide
CID 24794018
US11845767, Example 253
CID 155738249
(2S,4R)-4-fluoro-1-[2-(5-methyltetrazol-1-yl)acetyl]-N-[(S)-phenyl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide
CID 167188101
US11845767, Example 315
CID 170795414
US11845767, Example 319
CID 170795418
US11845767, Example 330
CID 170795429
US11845767, Example 331
CID 170795430

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).