1-N-[[5-chloro-2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methyl]tetrazole-1,5-diamine

C15H13Cl2FN6O — CID 44615845

IUPAC1-N-[[5-chloro-2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methyl]tetrazole-1,5-diamine
SMILESNc1nnnn1NCc1cc(Cl)ccc1OCc1ccc(F)cc1Cl
InChIInChI=1S/C15H13Cl2FN6O/c16-11-2-4-14(25-8-9-1-3-12(18)6-13(9)17)10(5-11)7-20-24-15(19)21-22-23-24/h1-6,20H,7-8H2,(H2,19,21,23)
InChIKeyKMPASOYLILXBKF-UHFFFAOYSA-N
MW383.21 g/mol
LogP3.02
Rot. Bonds6

About 1-N-[[5-chloro-2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methyl]tetrazole-1,5-diamine

1-N-[[5-chloro-2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methyl]tetrazole-1,5-diamine (PubChem CID 44615845) has the molecular formula C15H13Cl2FN6O and a molecular weight of 383.21 g/mol. Its IUPAC name is 1-N-[[5-chloro-2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methyl]tetrazole-1,5-diamine.

Molecular Properties

Compound Name1-N-[[5-chloro-2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methyl]tetrazole-1,5-diamine
PubChem CID44615845
Molecular FormulaC15H13Cl2FN6O
Molecular Weight383.21 g/mol
Exact Mass382.05
IUPAC Name1-N-[[5-chloro-2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methyl]tetrazole-1,5-diamine
SMILESNc1nnnn1NCc1cc(Cl)ccc1OCc1ccc(F)cc1Cl
InChIInChI=1S/C15H13Cl2FN6O/c16-11-2-4-14(25-8-9-1-3-12(18)6-13(9)17)10(5-11)7-20-24-15(19)21-22-23-24/h1-6,20H,7-8H2,(H2,19,21,23)
InChIKeyKMPASOYLILXBKF-UHFFFAOYSA-N
XLogP3.02
TPSA90.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.21
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-N-[[5-chloro-2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methyl]tetrazole-1,5-diamine?
The IUPAC name of 1-N-[[5-chloro-2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methyl]tetrazole-1,5-diamine (CID 44615845) is 1-N-[[5-chloro-2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methyl]tetrazole-1,5-diamine.
What is the SMILES notation for 1-N-[[5-chloro-2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methyl]tetrazole-1,5-diamine?
The canonical SMILES for 1-N-[[5-chloro-2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methyl]tetrazole-1,5-diamine is Nc1nnnn1NCc1cc(Cl)ccc1OCc1ccc(F)cc1Cl.
What is the InChIKey of 1-N-[[5-chloro-2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methyl]tetrazole-1,5-diamine?
The InChIKey is KMPASOYLILXBKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2FN6O/c16-11-2-4-14(25-8-9-1-3-12(18)6-13(9)17)10(5-11)7-20-24-15(19)21-22-23-24/h1-6,20H,7-8H2,(H2,19,21,23).
What are the key properties of 1-N-[[5-chloro-2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methyl]tetrazole-1,5-diamine?
1-N-[[5-chloro-2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methyl]tetrazole-1,5-diamine has a molecular weight of 383.21 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[[5-chloro-2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methyl]tetrazole-1,5-diamine is sourced from PubChem (CID 44615845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).