(2-chloro-6-fluorophenyl)methyl-methyl-[(5-phenyltetrazol-2-yl)methyl]azanium

C16H16ClFN5+ — CID 9117967

IUPAC(2-chloro-6-fluorophenyl)methyl-methyl-[(5-phenyltetrazol-2-yl)methyl]azanium
SMILESC[NH+](Cc1c(F)cccc1Cl)Cn1nnc(-c2ccccc2)n1
InChIInChI=1S/C16H15ClFN5/c1-22(10-13-14(17)8-5-9-15(13)18)11-23-20-16(19-21-23)12-6-3-2-4-7-12/h2-9H,10-11H2,1H3/p+1
InChIKeyWXGMNJJDBDIFPT-UHFFFAOYSA-O
MW332.79 g/mol
LogP1.80
Rot. Bonds5

About (2-chloro-6-fluorophenyl)methyl-methyl-[(5-phenyltetrazol-2-yl)methyl]azanium

(2-chloro-6-fluorophenyl)methyl-methyl-[(5-phenyltetrazol-2-yl)methyl]azanium (PubChem CID 9117967) has the molecular formula C16H16ClFN5+ and a molecular weight of 332.79 g/mol. Its IUPAC name is (2-chloro-6-fluorophenyl)methyl-methyl-[(5-phenyltetrazol-2-yl)methyl]azanium.

Molecular Properties

Compound Name(2-chloro-6-fluorophenyl)methyl-methyl-[(5-phenyltetrazol-2-yl)methyl]azanium
PubChem CID9117967
Molecular FormulaC16H16ClFN5+
Molecular Weight332.79 g/mol
Exact Mass332.11
IUPAC Name(2-chloro-6-fluorophenyl)methyl-methyl-[(5-phenyltetrazol-2-yl)methyl]azanium
SMILESC[NH+](Cc1c(F)cccc1Cl)Cn1nnc(-c2ccccc2)n1
InChIInChI=1S/C16H15ClFN5/c1-22(10-13-14(17)8-5-9-15(13)18)11-23-20-16(19-21-23)12-6-3-2-4-7-12/h2-9H,10-11H2,1H3/p+1
InChIKeyWXGMNJJDBDIFPT-UHFFFAOYSA-O
XLogP1.80
TPSA48.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-chloro-6-fluorophenyl)methyl]-5-(2-chlorophenyl)tetrazole
CID 4809389
3-chloro-2-[(5-phenyltetrazol-2-yl)methyl]aniline
CID 63747473
(2-chloro-6-fluorophenyl)methyl-[[(3R)-2,5-dioxo-3-phenylpyrrolidin-1-yl]methyl]-methylazanium
CID 9244103
(2-chloro-6-fluorophenyl)methyl-[2-(diethylazaniumyl)ethyl]-methylazanium
CID 6938049
(2-chloro-6-fluorophenyl)methyl 2-(5-thiophen-3-yltetrazol-2-yl)acetate
CID 8677472
(2-chloro-6-fluorophenyl)methyl-methyl-[(5-nitro-2-oxo-1-pyridinyl)methyl]azanium
CID 9243923
[2-(2-chloroanilino)-2-oxoethyl]-[(2-chloro-6-fluorophenyl)methyl]-methylazanium
CID 2714090
2-[(3-chlorophenyl)methyl]-5-phenyltetrazole
CID 7278082
5-(4-butoxyphenyl)-2-[(2,6-dichlorophenyl)methyl]tetrazole
CID 3166741
N-(2-fluorophenyl)-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide
CID 177372539
5-(2,6-difluorophenyl)-2-ethyltetrazole
CID 143805433
(2S)-1-chloro-3-(5-phenyltetrazol-2-yl)propan-2-ol
CID 7233521

Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-fluorophenyl)methyl-methyl-[(5-phenyltetrazol-2-yl)methyl]azanium?
The IUPAC name of (2-chloro-6-fluorophenyl)methyl-methyl-[(5-phenyltetrazol-2-yl)methyl]azanium (CID 9117967) is (2-chloro-6-fluorophenyl)methyl-methyl-[(5-phenyltetrazol-2-yl)methyl]azanium.
What is the SMILES notation for (2-chloro-6-fluorophenyl)methyl-methyl-[(5-phenyltetrazol-2-yl)methyl]azanium?
The canonical SMILES for (2-chloro-6-fluorophenyl)methyl-methyl-[(5-phenyltetrazol-2-yl)methyl]azanium is C[NH+](Cc1c(F)cccc1Cl)Cn1nnc(-c2ccccc2)n1.
What is the InChIKey of (2-chloro-6-fluorophenyl)methyl-methyl-[(5-phenyltetrazol-2-yl)methyl]azanium?
The InChIKey is WXGMNJJDBDIFPT-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H15ClFN5/c1-22(10-13-14(17)8-5-9-15(13)18)11-23-20-16(19-21-23)12-6-3-2-4-7-12/h2-9H,10-11H2,1H3/p+1.
What are the key properties of (2-chloro-6-fluorophenyl)methyl-methyl-[(5-phenyltetrazol-2-yl)methyl]azanium?
(2-chloro-6-fluorophenyl)methyl-methyl-[(5-phenyltetrazol-2-yl)methyl]azanium has a molecular weight of 332.79 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-fluorophenyl)methyl-methyl-[(5-phenyltetrazol-2-yl)methyl]azanium is sourced from PubChem (CID 9117967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).