N-(3-bromophenyl)-2-(4-fluorophenyl)tetrazole-5-carboxamide

C14H9BrFN5O — CID 71791440

IUPACN-(3-bromophenyl)-2-(4-fluorophenyl)tetrazole-5-carboxamide
SMILESO=C(Nc1cccc(Br)c1)c1nnn(-c2ccc(F)cc2)n1
InChIInChI=1S/C14H9BrFN5O/c15-9-2-1-3-11(8-9)17-14(22)13-18-20-21(19-13)12-6-4-10(16)5-7-12/h1-8H,(H,17,22)
InChIKeyHOYKDUWRQOSYQN-UHFFFAOYSA-N
MW362.16 g/mol
LogP2.82
Rot. Bonds3

About N-(3-bromophenyl)-2-(4-fluorophenyl)tetrazole-5-carboxamide

N-(3-bromophenyl)-2-(4-fluorophenyl)tetrazole-5-carboxamide (PubChem CID 71791440) has the molecular formula C14H9BrFN5O and a molecular weight of 362.16 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-(4-fluorophenyl)tetrazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-(4-fluorophenyl)tetrazole-5-carboxamide
PubChem CID71791440
Molecular FormulaC14H9BrFN5O
Molecular Weight362.16 g/mol
Exact Mass361.00
IUPAC NameN-(3-bromophenyl)-2-(4-fluorophenyl)tetrazole-5-carboxamide
SMILESO=C(Nc1cccc(Br)c1)c1nnn(-c2ccc(F)cc2)n1
InChIInChI=1S/C14H9BrFN5O/c15-9-2-1-3-11(8-9)17-14(22)13-18-20-21(19-13)12-6-4-10(16)5-7-12/h1-8H,(H,17,22)
InChIKeyHOYKDUWRQOSYQN-UHFFFAOYSA-N
XLogP2.82
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.16
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-(4-fluorophenyl)tetrazole-5-carboxamide?
The IUPAC name of N-(3-bromophenyl)-2-(4-fluorophenyl)tetrazole-5-carboxamide (CID 71791440) is N-(3-bromophenyl)-2-(4-fluorophenyl)tetrazole-5-carboxamide.
What is the SMILES notation for N-(3-bromophenyl)-2-(4-fluorophenyl)tetrazole-5-carboxamide?
The canonical SMILES for N-(3-bromophenyl)-2-(4-fluorophenyl)tetrazole-5-carboxamide is O=C(Nc1cccc(Br)c1)c1nnn(-c2ccc(F)cc2)n1.
What is the InChIKey of N-(3-bromophenyl)-2-(4-fluorophenyl)tetrazole-5-carboxamide?
The InChIKey is HOYKDUWRQOSYQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrFN5O/c15-9-2-1-3-11(8-9)17-14(22)13-18-20-21(19-13)12-6-4-10(16)5-7-12/h1-8H,(H,17,22).
What are the key properties of N-(3-bromophenyl)-2-(4-fluorophenyl)tetrazole-5-carboxamide?
N-(3-bromophenyl)-2-(4-fluorophenyl)tetrazole-5-carboxamide has a molecular weight of 362.16 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-(4-fluorophenyl)tetrazole-5-carboxamide is sourced from PubChem (CID 71791440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).