N-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-2H-tetrazol-5-amine

C15H13BrFN5O — CID 4727659

IUPACN-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-2H-tetrazol-5-amine
SMILESFc1ccc(COc2ccc(Br)cc2CNc2nn[nH]n2)cc1
InChIInChI=1S/C15H13BrFN5O/c16-12-3-6-14(23-9-10-1-4-13(17)5-2-10)11(7-12)8-18-15-19-21-22-20-15/h1-7H,8-9H2,(H2,18,19,20,21,22)
InChIKeyJUAHNZNCRVTDKW-UHFFFAOYSA-N
MW378.21 g/mol
LogP3.29
Rot. Bonds6

About N-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-2H-tetrazol-5-amine

N-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-2H-tetrazol-5-amine (PubChem CID 4727659) has the molecular formula C15H13BrFN5O and a molecular weight of 378.21 g/mol. Its IUPAC name is N-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-2H-tetrazol-5-amine.

Molecular Properties

Compound NameN-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-2H-tetrazol-5-amine
PubChem CID4727659
Molecular FormulaC15H13BrFN5O
Molecular Weight378.21 g/mol
Exact Mass377.03
IUPAC NameN-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-2H-tetrazol-5-amine
SMILESFc1ccc(COc2ccc(Br)cc2CNc2nn[nH]n2)cc1
InChIInChI=1S/C15H13BrFN5O/c16-12-3-6-14(23-9-10-1-4-13(17)5-2-10)11(7-12)8-18-15-19-21-22-20-15/h1-7H,8-9H2,(H2,18,19,20,21,22)
InChIKeyJUAHNZNCRVTDKW-UHFFFAOYSA-N
XLogP3.29
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.21
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-2H-tetrazol-5-amine?
The IUPAC name of N-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-2H-tetrazol-5-amine (CID 4727659) is N-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-2H-tetrazol-5-amine.
What is the SMILES notation for N-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-2H-tetrazol-5-amine?
The canonical SMILES for N-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-2H-tetrazol-5-amine is Fc1ccc(COc2ccc(Br)cc2CNc2nn[nH]n2)cc1.
What is the InChIKey of N-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-2H-tetrazol-5-amine?
The InChIKey is JUAHNZNCRVTDKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFN5O/c16-12-3-6-14(23-9-10-1-4-13(17)5-2-10)11(7-12)8-18-15-19-21-22-20-15/h1-7H,8-9H2,(H2,18,19,20,21,22).
What are the key properties of N-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-2H-tetrazol-5-amine?
N-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-2H-tetrazol-5-amine has a molecular weight of 378.21 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-2H-tetrazol-5-amine is sourced from PubChem (CID 4727659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).