N-[(3-fluorophenyl)methyl]-2,2-dimethyl-3-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]propanamide

C22H26FN5O — CID 59738285

IUPACN-[(3-fluorophenyl)methyl]-2,2-dimethyl-3-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]propanamide
SMILESCC(C)c1ccc(-c2nnn(CC(C)(C)C(=O)NCc3cccc(F)c3)n2)cc1
InChIInChI=1S/C22H26FN5O/c1-15(2)17-8-10-18(11-9-17)20-25-27-28(26-20)14-22(3,4)21(29)24-13-16-6-5-7-19(23)12-16/h5-12,15H,13-14H2,1-4H3,(H,24,29)
InChIKeyTYJKFGLVUSGAQI-UHFFFAOYSA-N
MW395.48 g/mol
LogP3.95
Rot. Bonds7

About N-[(3-fluorophenyl)methyl]-2,2-dimethyl-3-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]propanamide

N-[(3-fluorophenyl)methyl]-2,2-dimethyl-3-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]propanamide (PubChem CID 59738285) has the molecular formula C22H26FN5O and a molecular weight of 395.48 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-2,2-dimethyl-3-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]propanamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-2,2-dimethyl-3-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]propanamide
PubChem CID59738285
Molecular FormulaC22H26FN5O
Molecular Weight395.48 g/mol
Exact Mass395.21
IUPAC NameN-[(3-fluorophenyl)methyl]-2,2-dimethyl-3-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]propanamide
SMILESCC(C)c1ccc(-c2nnn(CC(C)(C)C(=O)NCc3cccc(F)c3)n2)cc1
InChIInChI=1S/C22H26FN5O/c1-15(2)17-8-10-18(11-9-17)20-25-27-28(26-20)14-22(3,4)21(29)24-13-16-6-5-7-19(23)12-16/h5-12,15H,13-14H2,1-4H3,(H,24,29)
InChIKeyTYJKFGLVUSGAQI-UHFFFAOYSA-N
XLogP3.95
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 ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-2,2-dimethyl-3-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]propanamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-2,2-dimethyl-3-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]propanamide (CID 59738285) is N-[(3-fluorophenyl)methyl]-2,2-dimethyl-3-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]propanamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-2,2-dimethyl-3-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]propanamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-2,2-dimethyl-3-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]propanamide is CC(C)c1ccc(-c2nnn(CC(C)(C)C(=O)NCc3cccc(F)c3)n2)cc1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-2,2-dimethyl-3-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]propanamide?
The InChIKey is TYJKFGLVUSGAQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN5O/c1-15(2)17-8-10-18(11-9-17)20-25-27-28(26-20)14-22(3,4)21(29)24-13-16-6-5-7-19(23)12-16/h5-12,15H,13-14H2,1-4H3,(H,24,29).
What are the key properties of N-[(3-fluorophenyl)methyl]-2,2-dimethyl-3-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]propanamide?
N-[(3-fluorophenyl)methyl]-2,2-dimethyl-3-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]propanamide has a molecular weight of 395.48 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-2,2-dimethyl-3-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]propanamide is sourced from PubChem (CID 59738285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).