N-[[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2H-tetrazol-5-amine

C16H15ClFN5O2 — CID 4725562

IUPACN-[[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2H-tetrazol-5-amine
SMILESCOc1cc(CNc2nn[nH]n2)ccc1OCc1c(F)cccc1Cl
InChIInChI=1S/C16H15ClFN5O2/c1-24-15-7-10(8-19-16-20-22-23-21-16)5-6-14(15)25-9-11-12(17)3-2-4-13(11)18/h2-7H,8-9H2,1H3,(H2,19,20,21,22,23)
InChIKeyHWRWCYBUUCQRDE-UHFFFAOYSA-N
MW363.78 g/mol
LogP3.19
Rot. Bonds7

About N-[[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2H-tetrazol-5-amine

N-[[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2H-tetrazol-5-amine (PubChem CID 4725562) has the molecular formula C16H15ClFN5O2 and a molecular weight of 363.78 g/mol. Its IUPAC name is N-[[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2H-tetrazol-5-amine.

Molecular Properties

Compound NameN-[[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2H-tetrazol-5-amine
PubChem CID4725562
Molecular FormulaC16H15ClFN5O2
Molecular Weight363.78 g/mol
Exact Mass363.09
IUPAC NameN-[[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2H-tetrazol-5-amine
SMILESCOc1cc(CNc2nn[nH]n2)ccc1OCc1c(F)cccc1Cl
InChIInChI=1S/C16H15ClFN5O2/c1-24-15-7-10(8-19-16-20-22-23-21-16)5-6-14(15)25-9-11-12(17)3-2-4-13(11)18/h2-7H,8-9H2,1H3,(H2,19,20,21,22,23)
InChIKeyHWRWCYBUUCQRDE-UHFFFAOYSA-N
XLogP3.19
TPSA84.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.78
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2H-tetrazol-5-amine?
The IUPAC name of N-[[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2H-tetrazol-5-amine (CID 4725562) is N-[[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2H-tetrazol-5-amine.
What is the SMILES notation for N-[[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2H-tetrazol-5-amine?
The canonical SMILES for N-[[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2H-tetrazol-5-amine is COc1cc(CNc2nn[nH]n2)ccc1OCc1c(F)cccc1Cl.
What is the InChIKey of N-[[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2H-tetrazol-5-amine?
The InChIKey is HWRWCYBUUCQRDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFN5O2/c1-24-15-7-10(8-19-16-20-22-23-21-16)5-6-14(15)25-9-11-12(17)3-2-4-13(11)18/h2-7H,8-9H2,1H3,(H2,19,20,21,22,23).
What are the key properties of N-[[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2H-tetrazol-5-amine?
N-[[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2H-tetrazol-5-amine has a molecular weight of 363.78 g/mol, XLogP of 3.19, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2H-tetrazol-5-amine is sourced from PubChem (CID 4725562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).