N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-1-phenyltetrazol-5-amine

C15H13ClFN5 — CID 2998534

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-1-phenyltetrazol-5-amine
SMILESCN(Cc1c(F)cccc1Cl)c1nnnn1-c1ccccc1
InChIInChI=1S/C15H13ClFN5/c1-21(10-12-13(16)8-5-9-14(12)17)15-18-19-20-22(15)11-6-3-2-4-7-11/h2-9H,10H2,1H3
InChIKeyPWLRJNWCTXIFCK-UHFFFAOYSA-N
MW317.76 g/mol
LogP3.09
Rot. Bonds4

About N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-1-phenyltetrazol-5-amine

N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-1-phenyltetrazol-5-amine (PubChem CID 2998534) has the molecular formula C15H13ClFN5 and a molecular weight of 317.76 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-1-phenyltetrazol-5-amine.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-1-phenyltetrazol-5-amine
PubChem CID2998534
Molecular FormulaC15H13ClFN5
Molecular Weight317.76 g/mol
Exact Mass317.08
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-1-phenyltetrazol-5-amine
SMILESCN(Cc1c(F)cccc1Cl)c1nnnn1-c1ccccc1
InChIInChI=1S/C15H13ClFN5/c1-21(10-12-13(16)8-5-9-14(12)17)15-18-19-20-22(15)11-6-3-2-4-7-11/h2-9H,10H2,1H3
InChIKeyPWLRJNWCTXIFCK-UHFFFAOYSA-N
XLogP3.09
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.76
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-1-phenyltetrazol-5-amine?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-1-phenyltetrazol-5-amine (CID 2998534) is N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-1-phenyltetrazol-5-amine.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-1-phenyltetrazol-5-amine?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-1-phenyltetrazol-5-amine is CN(Cc1c(F)cccc1Cl)c1nnnn1-c1ccccc1.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-1-phenyltetrazol-5-amine?
The InChIKey is PWLRJNWCTXIFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFN5/c1-21(10-12-13(16)8-5-9-14(12)17)15-18-19-20-22(15)11-6-3-2-4-7-11/h2-9H,10H2,1H3.
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-1-phenyltetrazol-5-amine?
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-1-phenyltetrazol-5-amine has a molecular weight of 317.76 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-1-phenyltetrazol-5-amine is sourced from PubChem (CID 2998534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).