N-(3-chloro-5-fluorophenyl)-2H-tetrazole-5-carboxamide

C8H5ClFN5O — CID 107370169

IUPACN-(3-chloro-5-fluorophenyl)-2H-tetrazole-5-carboxamide
SMILESO=C(Nc1cc(F)cc(Cl)c1)c1nn[nH]n1
InChIInChI=1S/C8H5ClFN5O/c9-4-1-5(10)3-6(2-4)11-8(16)7-12-14-15-13-7/h1-3H,(H,11,16)(H,12,13,14,15)
InChIKeyWXEJFOWOIUBJOF-UHFFFAOYSA-N
MW241.61 g/mol
LogP1.24
Rot. Bonds2

About N-(3-chloro-5-fluorophenyl)-2H-tetrazole-5-carboxamide

N-(3-chloro-5-fluorophenyl)-2H-tetrazole-5-carboxamide (PubChem CID 107370169) has the molecular formula C8H5ClFN5O and a molecular weight of 241.61 g/mol. Its IUPAC name is N-(3-chloro-5-fluorophenyl)-2H-tetrazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-5-fluorophenyl)-2H-tetrazole-5-carboxamide
PubChem CID107370169
Molecular FormulaC8H5ClFN5O
Molecular Weight241.61 g/mol
Exact Mass241.02
IUPAC NameN-(3-chloro-5-fluorophenyl)-2H-tetrazole-5-carboxamide
SMILESO=C(Nc1cc(F)cc(Cl)c1)c1nn[nH]n1
InChIInChI=1S/C8H5ClFN5O/c9-4-1-5(10)3-6(2-4)11-8(16)7-12-14-15-13-7/h1-3H,(H,11,16)(H,12,13,14,15)
InChIKeyWXEJFOWOIUBJOF-UHFFFAOYSA-N
XLogP1.24
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.61
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-5-fluorophenyl)-2H-tetrazole-5-carboxamide?
The IUPAC name of N-(3-chloro-5-fluorophenyl)-2H-tetrazole-5-carboxamide (CID 107370169) is N-(3-chloro-5-fluorophenyl)-2H-tetrazole-5-carboxamide.
What is the SMILES notation for N-(3-chloro-5-fluorophenyl)-2H-tetrazole-5-carboxamide?
The canonical SMILES for N-(3-chloro-5-fluorophenyl)-2H-tetrazole-5-carboxamide is O=C(Nc1cc(F)cc(Cl)c1)c1nn[nH]n1.
What is the InChIKey of N-(3-chloro-5-fluorophenyl)-2H-tetrazole-5-carboxamide?
The InChIKey is WXEJFOWOIUBJOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClFN5O/c9-4-1-5(10)3-6(2-4)11-8(16)7-12-14-15-13-7/h1-3H,(H,11,16)(H,12,13,14,15).
What are the key properties of N-(3-chloro-5-fluorophenyl)-2H-tetrazole-5-carboxamide?
N-(3-chloro-5-fluorophenyl)-2H-tetrazole-5-carboxamide has a molecular weight of 241.61 g/mol, XLogP of 1.24, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-5-fluorophenyl)-2H-tetrazole-5-carboxamide is sourced from PubChem (CID 107370169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).