N-[(1-cyclopentyltetrazol-5-yl)-(4-fluorophenyl)methyl]-N-methylaniline

C20H22FN5 — CID 649259

IUPACN-[(1-cyclopentyltetrazol-5-yl)-(4-fluorophenyl)methyl]-N-methylaniline
SMILESCN(c1ccccc1)C(c1ccc(F)cc1)c1nnnn1C1CCCC1
InChIInChI=1S/C20H22FN5/c1-25(17-7-3-2-4-8-17)19(15-11-13-16(21)14-12-15)20-22-23-24-26(20)18-9-5-6-10-18/h2-4,7-8,11-14,18-19H,5-6,9-10H2,1H3
InChIKeyAKPJZWIVEBEZFM-UHFFFAOYSA-N
MW351.43 g/mol
LogP4.15
Rot. Bonds5

About N-[(1-cyclopentyltetrazol-5-yl)-(4-fluorophenyl)methyl]-N-methylaniline

N-[(1-cyclopentyltetrazol-5-yl)-(4-fluorophenyl)methyl]-N-methylaniline (PubChem CID 649259) has the molecular formula C20H22FN5 and a molecular weight of 351.43 g/mol. Its IUPAC name is N-[(1-cyclopentyltetrazol-5-yl)-(4-fluorophenyl)methyl]-N-methylaniline.

Molecular Properties

Compound NameN-[(1-cyclopentyltetrazol-5-yl)-(4-fluorophenyl)methyl]-N-methylaniline
PubChem CID649259
Molecular FormulaC20H22FN5
Molecular Weight351.43 g/mol
Exact Mass351.19
IUPAC NameN-[(1-cyclopentyltetrazol-5-yl)-(4-fluorophenyl)methyl]-N-methylaniline
SMILESCN(c1ccccc1)C(c1ccc(F)cc1)c1nnnn1C1CCCC1
InChIInChI=1S/C20H22FN5/c1-25(17-7-3-2-4-8-17)19(15-11-13-16(21)14-12-15)20-22-23-24-26(20)18-9-5-6-10-18/h2-4,7-8,11-14,18-19H,5-6,9-10H2,1H3
InChIKeyAKPJZWIVEBEZFM-UHFFFAOYSA-N
XLogP4.15
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopentyltetrazol-5-yl)-(4-fluorophenyl)methyl]-N-methylaniline?
The IUPAC name of N-[(1-cyclopentyltetrazol-5-yl)-(4-fluorophenyl)methyl]-N-methylaniline (CID 649259) is N-[(1-cyclopentyltetrazol-5-yl)-(4-fluorophenyl)methyl]-N-methylaniline.
What is the SMILES notation for N-[(1-cyclopentyltetrazol-5-yl)-(4-fluorophenyl)methyl]-N-methylaniline?
The canonical SMILES for N-[(1-cyclopentyltetrazol-5-yl)-(4-fluorophenyl)methyl]-N-methylaniline is CN(c1ccccc1)C(c1ccc(F)cc1)c1nnnn1C1CCCC1.
What is the InChIKey of N-[(1-cyclopentyltetrazol-5-yl)-(4-fluorophenyl)methyl]-N-methylaniline?
The InChIKey is AKPJZWIVEBEZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN5/c1-25(17-7-3-2-4-8-17)19(15-11-13-16(21)14-12-15)20-22-23-24-26(20)18-9-5-6-10-18/h2-4,7-8,11-14,18-19H,5-6,9-10H2,1H3.
What are the key properties of N-[(1-cyclopentyltetrazol-5-yl)-(4-fluorophenyl)methyl]-N-methylaniline?
N-[(1-cyclopentyltetrazol-5-yl)-(4-fluorophenyl)methyl]-N-methylaniline has a molecular weight of 351.43 g/mol, XLogP of 4.15, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopentyltetrazol-5-yl)-(4-fluorophenyl)methyl]-N-methylaniline is sourced from PubChem (CID 649259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).