1-(2,3-dichlorophenyl)-N-[(2,5-difluorophenyl)methyl]tetrazol-5-amine

C14H9Cl2F2N5 — CID 54587578

IUPAC1-(2,3-dichlorophenyl)-N-[(2,5-difluorophenyl)methyl]tetrazol-5-amine
SMILESFc1ccc(F)c(CNc2nnnn2-c2cccc(Cl)c2Cl)c1
InChIInChI=1S/C14H9Cl2F2N5/c15-10-2-1-3-12(13(10)16)23-14(20-21-22-23)19-7-8-6-9(17)4-5-11(8)18/h1-6H,7H2,(H,19,20,22)
InChIKeyYVDXERQURHZNKW-UHFFFAOYSA-N
MW356.16 g/mol
LogP3.86
Rot. Bonds4

About 1-(2,3-dichlorophenyl)-N-[(2,5-difluorophenyl)methyl]tetrazol-5-amine

1-(2,3-dichlorophenyl)-N-[(2,5-difluorophenyl)methyl]tetrazol-5-amine (PubChem CID 54587578) has the molecular formula C14H9Cl2F2N5 and a molecular weight of 356.16 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-N-[(2,5-difluorophenyl)methyl]tetrazol-5-amine.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-N-[(2,5-difluorophenyl)methyl]tetrazol-5-amine
PubChem CID54587578
Molecular FormulaC14H9Cl2F2N5
Molecular Weight356.16 g/mol
Exact Mass355.02
IUPAC Name1-(2,3-dichlorophenyl)-N-[(2,5-difluorophenyl)methyl]tetrazol-5-amine
SMILESFc1ccc(F)c(CNc2nnnn2-c2cccc(Cl)c2Cl)c1
InChIInChI=1S/C14H9Cl2F2N5/c15-10-2-1-3-12(13(10)16)23-14(20-21-22-23)19-7-8-6-9(17)4-5-11(8)18/h1-6H,7H2,(H,19,20,22)
InChIKeyYVDXERQURHZNKW-UHFFFAOYSA-N
XLogP3.86
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.16
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-N-[(2,5-difluorophenyl)methyl]tetrazol-5-amine?
The IUPAC name of 1-(2,3-dichlorophenyl)-N-[(2,5-difluorophenyl)methyl]tetrazol-5-amine (CID 54587578) is 1-(2,3-dichlorophenyl)-N-[(2,5-difluorophenyl)methyl]tetrazol-5-amine.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-N-[(2,5-difluorophenyl)methyl]tetrazol-5-amine?
The canonical SMILES for 1-(2,3-dichlorophenyl)-N-[(2,5-difluorophenyl)methyl]tetrazol-5-amine is Fc1ccc(F)c(CNc2nnnn2-c2cccc(Cl)c2Cl)c1.
What is the InChIKey of 1-(2,3-dichlorophenyl)-N-[(2,5-difluorophenyl)methyl]tetrazol-5-amine?
The InChIKey is YVDXERQURHZNKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2F2N5/c15-10-2-1-3-12(13(10)16)23-14(20-21-22-23)19-7-8-6-9(17)4-5-11(8)18/h1-6H,7H2,(H,19,20,22).
What are the key properties of 1-(2,3-dichlorophenyl)-N-[(2,5-difluorophenyl)methyl]tetrazol-5-amine?
1-(2,3-dichlorophenyl)-N-[(2,5-difluorophenyl)methyl]tetrazol-5-amine has a molecular weight of 356.16 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-N-[(2,5-difluorophenyl)methyl]tetrazol-5-amine is sourced from PubChem (CID 54587578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).