3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-[2-(2,4,6-trimethylphenyl)ethyl]propanamide

C22H26FN5O — CID 55878063

IUPAC3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-[2-(2,4,6-trimethylphenyl)ethyl]propanamide
SMILESCc1cc(C)c(CCNC(=O)C(Cc2ccc(F)cc2)n2nnnc2C)c(C)c1
InChIInChI=1S/C22H26FN5O/c1-14-11-15(2)20(16(3)12-14)9-10-24-22(29)21(28-17(4)25-26-27-28)13-18-5-7-19(23)8-6-18/h5-8,11-12,21H,9-10,13H2,1-4H3,(H,24,29)
InChIKeyCFXHKPRKOMBGTJ-UHFFFAOYSA-N
MW395.48 g/mol
LogP3.19
Rot. Bonds7

About 3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-[2-(2,4,6-trimethylphenyl)ethyl]propanamide

3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-[2-(2,4,6-trimethylphenyl)ethyl]propanamide (PubChem CID 55878063) has the molecular formula C22H26FN5O and a molecular weight of 395.48 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-[2-(2,4,6-trimethylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-[2-(2,4,6-trimethylphenyl)ethyl]propanamide
PubChem CID55878063
Molecular FormulaC22H26FN5O
Molecular Weight395.48 g/mol
Exact Mass395.21
IUPAC Name3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-[2-(2,4,6-trimethylphenyl)ethyl]propanamide
SMILESCc1cc(C)c(CCNC(=O)C(Cc2ccc(F)cc2)n2nnnc2C)c(C)c1
InChIInChI=1S/C22H26FN5O/c1-14-11-15(2)20(16(3)12-14)9-10-24-22(29)21(28-17(4)25-26-27-28)13-18-5-7-19(23)8-6-18/h5-8,11-12,21H,9-10,13H2,1-4H3,(H,24,29)
InChIKeyCFXHKPRKOMBGTJ-UHFFFAOYSA-N
XLogP3.19
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-[2-(2,4,6-trimethylphenyl)ethyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-fluorophenyl)-N-[2-(methylamino)ethyl]-2-(5-methyltetrazol-1-yl)propanamide;hydrochloride
CID 119500200
3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-(2-pyridin-3-ylethyl)propanamide
CID 86994053
N-[2-(5-bromothiophen-2-yl)ethyl]-3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanamide
CID 78880480
N-[2-(cycloheptylamino)ethyl]-3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanamide
CID 119619312
3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-(3-pyrazol-1-ylpropyl)propanamide
CID 47039371
4-[2-[[3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanoyl]amino]ethyl]benzoic acid
CID 119168903
3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-piperidin-4-ylpropanamide;hydrochloride
CID 119386064
3-(4-fluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]-2-(5-methyltetrazol-1-yl)propanamide
CID 111464206
4-[[[3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanoyl]amino]methyl]oxane-4-carboxylic acid
CID 120542576
3-(4-fluorophenyl)-N-(3-indol-1-ylpropyl)-2-(5-methyltetrazol-1-yl)propanamide
CID 55739350
3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
CID 55970907
2-[[[3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanoyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 119244757

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-[2-(2,4,6-trimethylphenyl)ethyl]propanamide?
The IUPAC name of 3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-[2-(2,4,6-trimethylphenyl)ethyl]propanamide (CID 55878063) is 3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-[2-(2,4,6-trimethylphenyl)ethyl]propanamide.
What is the SMILES notation for 3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-[2-(2,4,6-trimethylphenyl)ethyl]propanamide?
The canonical SMILES for 3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-[2-(2,4,6-trimethylphenyl)ethyl]propanamide is Cc1cc(C)c(CCNC(=O)C(Cc2ccc(F)cc2)n2nnnc2C)c(C)c1.
What is the InChIKey of 3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-[2-(2,4,6-trimethylphenyl)ethyl]propanamide?
The InChIKey is CFXHKPRKOMBGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN5O/c1-14-11-15(2)20(16(3)12-14)9-10-24-22(29)21(28-17(4)25-26-27-28)13-18-5-7-19(23)8-6-18/h5-8,11-12,21H,9-10,13H2,1-4H3,(H,24,29).
What are the key properties of 3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-[2-(2,4,6-trimethylphenyl)ethyl]propanamide?
3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-[2-(2,4,6-trimethylphenyl)ethyl]propanamide has a molecular weight of 395.48 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-[2-(2,4,6-trimethylphenyl)ethyl]propanamide is sourced from PubChem (CID 55878063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).