N-[(4-fluorophenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-N-methylaniline;hydrochloride

C20H23ClFN5O — CID 6602680

IUPACN-[(4-fluorophenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-N-methylaniline;hydrochloride
SMILESCN(c1ccccc1)C(c1ccc(F)cc1)c1nnnn1CC1CCCO1.Cl
InChIInChI=1S/C20H22FN5O.ClH/c1-25(17-6-3-2-4-7-17)19(15-9-11-16(21)12-10-15)20-22-23-24-26(20)14-18-8-5-13-27-18;/h2-4,6-7,9-12,18-19H,5,8,13-14H2,1H3;1H
InChIKeyJOOKGOIDKKMSDI-UHFFFAOYSA-N
MW403.89 g/mol
LogP3.64
Rot. Bonds6

About N-[(4-fluorophenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-N-methylaniline;hydrochloride

N-[(4-fluorophenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-N-methylaniline;hydrochloride (PubChem CID 6602680) has the molecular formula C20H23ClFN5O and a molecular weight of 403.89 g/mol. Its IUPAC name is N-[(4-fluorophenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-N-methylaniline;hydrochloride.

Molecular Properties

Compound NameN-[(4-fluorophenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-N-methylaniline;hydrochloride
PubChem CID6602680
Molecular FormulaC20H23ClFN5O
Molecular Weight403.89 g/mol
Exact Mass403.16
IUPAC NameN-[(4-fluorophenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-N-methylaniline;hydrochloride
SMILESCN(c1ccccc1)C(c1ccc(F)cc1)c1nnnn1CC1CCCO1.Cl
InChIInChI=1S/C20H22FN5O.ClH/c1-25(17-6-3-2-4-7-17)19(15-9-11-16(21)12-10-15)20-22-23-24-26(20)14-18-8-5-13-27-18;/h2-4,6-7,9-12,18-19H,5,8,13-14H2,1H3;1H
InChIKeyJOOKGOIDKKMSDI-UHFFFAOYSA-N
XLogP3.64
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.89
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[(4-fluorophenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-N-methylaniline;hydrochloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-N-methylaniline;hydrochloride?
The IUPAC name of N-[(4-fluorophenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-N-methylaniline;hydrochloride (CID 6602680) is N-[(4-fluorophenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-N-methylaniline;hydrochloride.
What is the SMILES notation for N-[(4-fluorophenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-N-methylaniline;hydrochloride?
The canonical SMILES for N-[(4-fluorophenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-N-methylaniline;hydrochloride is CN(c1ccccc1)C(c1ccc(F)cc1)c1nnnn1CC1CCCO1.Cl.
What is the InChIKey of N-[(4-fluorophenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-N-methylaniline;hydrochloride?
The InChIKey is JOOKGOIDKKMSDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN5O.ClH/c1-25(17-6-3-2-4-7-17)19(15-9-11-16(21)12-10-15)20-22-23-24-26(20)14-18-8-5-13-27-18;/h2-4,6-7,9-12,18-19H,5,8,13-14H2,1H3;1H.
What are the key properties of N-[(4-fluorophenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-N-methylaniline;hydrochloride?
N-[(4-fluorophenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-N-methylaniline;hydrochloride has a molecular weight of 403.89 g/mol, XLogP of 3.64, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-N-methylaniline;hydrochloride is sourced from PubChem (CID 6602680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).