N-[(2-chloro-3,6-difluorophenyl)methyl]-1-(2,3-dichlorophenyl)tetrazol-5-amine

C14H8Cl3F2N5 — CID 54584623

IUPACN-[(2-chloro-3,6-difluorophenyl)methyl]-1-(2,3-dichlorophenyl)tetrazol-5-amine
SMILESFc1ccc(F)c(CNc2nnnn2-c2cccc(Cl)c2Cl)c1Cl
InChIInChI=1S/C14H8Cl3F2N5/c15-8-2-1-3-11(13(8)17)24-14(21-22-23-24)20-6-7-9(18)4-5-10(19)12(7)16/h1-5H,6H2,(H,20,21,23)
InChIKeyHSUGNIHXEJYCDX-UHFFFAOYSA-N
MW390.61 g/mol
LogP4.51
Rot. Bonds4

About N-[(2-chloro-3,6-difluorophenyl)methyl]-1-(2,3-dichlorophenyl)tetrazol-5-amine

N-[(2-chloro-3,6-difluorophenyl)methyl]-1-(2,3-dichlorophenyl)tetrazol-5-amine (PubChem CID 54584623) has the molecular formula C14H8Cl3F2N5 and a molecular weight of 390.61 g/mol. Its IUPAC name is N-[(2-chloro-3,6-difluorophenyl)methyl]-1-(2,3-dichlorophenyl)tetrazol-5-amine.

Molecular Properties

Compound NameN-[(2-chloro-3,6-difluorophenyl)methyl]-1-(2,3-dichlorophenyl)tetrazol-5-amine
PubChem CID54584623
Molecular FormulaC14H8Cl3F2N5
Molecular Weight390.61 g/mol
Exact Mass388.98
IUPAC NameN-[(2-chloro-3,6-difluorophenyl)methyl]-1-(2,3-dichlorophenyl)tetrazol-5-amine
SMILESFc1ccc(F)c(CNc2nnnn2-c2cccc(Cl)c2Cl)c1Cl
InChIInChI=1S/C14H8Cl3F2N5/c15-8-2-1-3-11(13(8)17)24-14(21-22-23-24)20-6-7-9(18)4-5-10(19)12(7)16/h1-5H,6H2,(H,20,21,23)
InChIKeyHSUGNIHXEJYCDX-UHFFFAOYSA-N
XLogP4.51
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.61
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-3,6-difluorophenyl)methyl]-1-(2,3-dichlorophenyl)tetrazol-5-amine?
The IUPAC name of N-[(2-chloro-3,6-difluorophenyl)methyl]-1-(2,3-dichlorophenyl)tetrazol-5-amine (CID 54584623) is N-[(2-chloro-3,6-difluorophenyl)methyl]-1-(2,3-dichlorophenyl)tetrazol-5-amine.
What is the SMILES notation for N-[(2-chloro-3,6-difluorophenyl)methyl]-1-(2,3-dichlorophenyl)tetrazol-5-amine?
The canonical SMILES for N-[(2-chloro-3,6-difluorophenyl)methyl]-1-(2,3-dichlorophenyl)tetrazol-5-amine is Fc1ccc(F)c(CNc2nnnn2-c2cccc(Cl)c2Cl)c1Cl.
What is the InChIKey of N-[(2-chloro-3,6-difluorophenyl)methyl]-1-(2,3-dichlorophenyl)tetrazol-5-amine?
The InChIKey is HSUGNIHXEJYCDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl3F2N5/c15-8-2-1-3-11(13(8)17)24-14(21-22-23-24)20-6-7-9(18)4-5-10(19)12(7)16/h1-5H,6H2,(H,20,21,23).
What are the key properties of N-[(2-chloro-3,6-difluorophenyl)methyl]-1-(2,3-dichlorophenyl)tetrazol-5-amine?
N-[(2-chloro-3,6-difluorophenyl)methyl]-1-(2,3-dichlorophenyl)tetrazol-5-amine has a molecular weight of 390.61 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-3,6-difluorophenyl)methyl]-1-(2,3-dichlorophenyl)tetrazol-5-amine is sourced from PubChem (CID 54584623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).